M10L1_HUMAN Loading...

Isoform 5 of RNA helicase Mov10l1 AlphaSync

Canonical isoform description: ATP-dependent RNA helicase required during spermatogenesis to repress transposable elements and prevent their mobilization, which is essential for germline integrity. Acts via the piRNA metabolic process, which mediates the repression of transposable elements during meiosis by forming complexes composed of piRNAs and Piwi proteins and governs the methylation and subsequent repression of transposons. Involved in the primary piRNA metabolic process. Specifically binds to piRNA precursors and promotes the generation of intermediate piRNA processing fragments that are subsequently loaded to Piwi proteins. Acts via its ATP-dependent RNA helicase activity: displays 5'-3' RNA unwinding activity and probably mediates unwinding and funneling of single-stranded piRNA precursor transcripts to the endonuclease that catalyzes the first cleavage step of piRNA processing to generate piRNA intermediate fragments that are subsequently loaded to Piwi proteins.

AlphaFold DB , UniProt , Accession Q9BXT6-5 (canonical: Q9BXT6), Species HUMAN (Homo sapiens, Human), Gene MOV10L1, Length 1,165 aa.

						>M10L1_HUMAN|Q9BXT6-5|MOV10L1
MSFLPVRSVIGGGDTKLKTVRGVVTRYCSDYGMIDDMIYFSSDAVTSRVLLNVGQEVIAVVEENKVSNGLKAIRVEAVSDKWEDDSRNHGSPSDCGPRVLIGCVTSLVEGAGCISQTTYFSLESVCEGFEPCKGDWVEAEYRIRPGTWSSEATSVKPLRYKRVDKVCISSLCGRNGVLEESIFFTLDSLKLPDGYTPRRGDVVNAVVVESSQSCYVWRALCMTLVKRRDAAPVHEATHFYGTILLKNKGDIEVTQVTHFGTLKEGRSKTMVIWIENKGDIPQNLVSCKLAGWDKSKQFRFQMLDKDQMCPVVSFVSVPEKENSSDENINSLNSHTKNKTSQMSESSLVNNRGISPGDCTCKGENGEKDNILSRKQMTEPEPGGLVPPGGKTFIVVICDGKNPGRCKELLLLCFSDFLIGRYLEVNVISGEESLIAAREPFSWKKLKSSQALTSAKTTVVVTAQKRNSRRQLPSFLPQYPIPDRLRKCVEQKIDILTFQPLLAELLNMSNYKEKFSTLLWLEEIYAEMELKEYNMSGIILRRNGDLLVLEVPGLAEGRPSLYAGDKLILKTQEYNGHAIEYISYVTEIHEEDVTLKINPEFEQAYNFEPMDVEFTYNRTTSRRCHFALEHVIHLGVKVLFPEEIILQSPQVTGNWNHAQDTKSSGQSTSKKNRKTMTDQAEHGTEERRVGDKDLPVLAPFTAEMSDWVDEIQTPKARKMEFFNPVLNENQKLAVKRILSGDCRPLPYILFGPPGTGKTVTIIEAVLQVHFALPDSRILVCAPSNSAADLVCLRLHESKVLQPATMVRVNATCRFEEIVIDAVKPYCRDGEDIWKASRFRIIITTCSSSGLFYQIGVRVGHFTHVFVDEAGQASEPECLIPLGLMSDISGQIVLAGDPMQLGPVIKSRLAMAYGLNVSFLERLMSRPAYQRDENAFGACGAHNPLLVTKLVKNYRSHEALLMLPSRLFYHRELEVCADPTVVTSLLGWEKLPKKGFPLIFHGVRGSEAREGKSPSWFNPAEAVQVLRYCCLLAHSISSQVSASDIGVITPYRKQVEKIRILLRNVDLMDIKVGSVEEFQGQEYLVIIISTVRSNEDRFEDDRYFLGFLSNSKRFNVAITRPKALLIVLGNPHVLVRLWRGGGRPLLPSGARIHRTREASGAQLICSG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	27.9	Very low	239 Å²	239	153.5 Å²	153.5	100%	1.177	85%	0.85	S	S	*	*				0	165.1	0	-100.5	-178.4	171.6	0	0	109.3
2	S	30	Very low	27.6	Very low	104 Å²	104	148.4 Å²	148.4	73%	0.727	86%	0.859	S	S	*	*			trans	47.7	97.9	162.9	57.1	0	0	0	0	118.1
3	F	29.4	Very low	27.8	Very low	216 Å²	216	141.3 Å²	141.3	95%	0.947	84%	0.837	S	S	*	*			trans	-59.7	144.4	143.6	-74.9	-102.7	0	0	0	109.3
4	L	28	Very low	28.6	Very low	155 Å²	155	143.4 Å²	143.4	81%	0.812	84%	0.842	S	S	*	*			trans	-134.5	139.8	160.9	-81.8	174.8	0	0	0	109.6
5	P	31.3	Very low	30.1	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-90.1	136.1	-169.4	34	-34.3	0	0	0	113
6	V	31.6	Very low	32	Very low	147 Å²	147	140.6 Å²	140.6	89%	0.891	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-84.2	131.2	162.5	-179.8	0	0	0	0	108.5
7	R	23.4	Very low	34.5	Very low	229 Å²	229	137.3 Å²	137.3	86%	0.864	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-74.8	146.9	-175.7	-77.2	178	168.2	170.2	-5	112.7
8	S	24.5	Very low	36.9	Very low	118 Å²	118	137 Å²	137	83%	0.825	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59.1	139.7	167.3	53	0	0	0	0	113.1
9	V	26.6	Very low	39.4	Very low	121 Å²	121	135.1 Å²	135.1	73%	0.733	77%	0.768	S	S	*	*			trans	-135.1	106.6	167.5	178.5	0	0	0	0	109.7
10	I	26	Very low	41.6	Very low	172 Å²	172	130.7 Å²	130.7	88%	0.882	74%	0.744	S	S	*	*			trans	60.4	129.3	154.4	-55.3	168.6	0	0	0	118.4
11	G	24.1	Very low	43.7	Very low	72 Å²	72	131.6 Å²	131.6	74%	0.742	74%	0.735	S	S	*	*			trans	131.8	94.2	159	0	0	0	0	0	113.7
12	G	24.6	Very low	46.2	Very low	93 Å²	93	120.6 Å²	120.6	96%	0.959	68%	0.683	S	S	*	*			trans	-79.8	127.6	-180	0	0	0	0	0	113.2
13	G	30.2	Very low	48.7	Very low	56 Å²	56	118 Å²	118	58%	0.577	66%	0.663	S	S	*	*			trans	171.3	119.7	169.6	0	0	0	0	0	111.1	T15	G13-T15 PolarHBondContact O-N 2.86Å
14	D	39.5	Very low	51.2	Low	170 Å²	170	107.7 Å²	107.7	91%	0.909	62%	0.617	S	S	*	*			trans	-70.1	85.9	-175.4	-71.8	-45.6	0	0	0	112.6
15	T	50	Low	53.3	Low	62 Å²	62	102.5 Å²	102.5	38%	0.38	59%	0.593	S	S	.	*			trans	-89.3	108.6	169.9	53.5	0	0	0	0	109.1	G13 L17 E62	G13-T15 PolarHBondContact O-N 2.86Å; T15-L17 PolarHBondContact O-N 2.69Å; T15-E62 VanDerWaalsContact CG2-OE1 3.25Å; T15-E62 WeakPolarHBondContact CG2-OE1 3.17Å
16	K	61.4	Low	55.2	Low	181 Å²	181	103.3 Å²	103.3	79%	0.787	58%	0.581	S	S	*	*			trans	-73.1	76.1	179.9	-73.9	-175.6	177.2	177	0	111.2	K18	K16-K18 PolarHBondContact O-N 2.95Å
17	L	73.7	Confident	57.5	Low	84 Å²	84	98.9 Å²	98.9	44%	0.44	55%	0.548	S	S	.	.			trans	-57.6	133.7	171.5	-60.8	-179.7	0	0	0	110.3	T15 V60 V61 E62 I73	T15-L17 PolarHBondContact O-N 2.69Å; L17-V60 HydrophobicContact CB-CG1 4.19Å; L17-V60 HydrophobicContact CD1-CG1 4.4Å; L17-V61 WeakPolarHBondContact CA-O 3.48Å; L17-E62 HydrophobicContact CD2-CB 3.82Å; L17-E62 HydrophobicContact CD2-CG 4.19Å; L17-I73 HydrophobicContact CD1-CD1 3.99Å; L17-I73 HydrophobicContact CD2-CD1 3.64Å; L17-I73 HydrophobicContact CG-CD1 4.48Å
18	K	78.5	Confident	59.6	Low	132 Å²	132	90.6 Å²	90.6	57%	0.574	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.4	174.2	-67.2	176.7	-177.2	170.1	0	109.8	K16 V60 V61	K16-K18 PolarHBondContact O-N 2.95Å; K18-V60 CarbonylContact O-C 3.55Å; K18-V60 WeakPolarHBondContact O-CA 3.38Å; K18-V61 HydrophobicContact CB-CG2 3.95Å; K18-V61 PolarHBondContact N-O 3.47Å; K18-V61 PolarHBondContact O-N 3.02Å
19	T	85.2	Confident	61.7	Low	101 Å²	101	90.5 Å²	90.5	62%	0.62	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.8	170.2	-53.4	0	0	0	0	109.4	I58 A59	T19-I58 HydrophobicContact CG2-CG2 3.51Å; T19-A59 CarbonylContact C-O 3.59Å; T19-A59 WeakPolarHBondContact CA-O 3.25Å
20	V	83	Confident	64	Low	47 Å²	47	89.3 Å²	89.3	29%	0.285	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.8	-177.4	-176	0	0	0	0	108.6	I38 I58 A59 V61	V20-I38 HydrophobicContact CB-CD1 4.31Å; V20-I38 HydrophobicContact CG1-CD1 4.03Å; V20-I58 WeakPolarHBondContact O-CA 3.3Å; V20-A59 PolarHBondContact N-O 2.89Å; V20-A59 PolarHBondContact O-N 2.8Å; V20-V61 HydrophobicContact CG2-CG2 3.96Å
21	R	84.9	Confident	66.7	Low	150 Å²	150	85.5 Å²	85.5	57%	0.566	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.2	168.4	-177	178	178.6	161.8	0.4	108	E56 V57 I58	R21-E56 IonicContact CZ-OE2 2.75Å; R21-E56 IonicContact NE-OE2 2.83Å; R21-E56 PolarHBondContact NE-OE2 3.42Å; R21-E56 IonicContact NH2-OE2 2.7Å; R21-E56 PolarHBondContact NH2-OE2 2.78Å; R21-V57 WeakPolarHBondContact CA-O 3.36Å; R21-I58 HydrophobicContact CB-CG1 4.43Å; R21-I58 HydrophobicContact CG-CG1 4.36Å
22	G	83.5	Confident	69.6	Low	8 Å²	8	82 Å²	82	8%	0.082	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	-178.2	-174.6	0	0	0	0	0	112.5	D35 V57	G22-D35 WeakPolarHBondContact CA-OD2 3.29Å; G22-V57 PolarHBondContact N-O 3.4Å; G22-V57 WeakPolarHBondContact O-CG2 3.25Å; G22-V57 PolarHBondContact O-N 3.03Å
23	V	83.7	Confident	72.3	Confident	48 Å²	48	79.8 Å²	79.8	29%	0.291	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135	-177.6	-179	0	0	0	0	110.8	T25 I34 D35 Q55 E56	V23-T25 PolarHBondContact O-N 3.3Å; V23-I34 CarbonylContact O-C 3.52Å; V23-I34 WeakPolarHBondContact O-CA 3.4Å; V23-D35 PolarHBondContact N-OD1 2.9Å; V23-D35 PolarHBondContact O-N 2.75Å; V23-Q55 WeakPolarHBondContact CA-O 3.41Å; V23-E56 HydrophobicContact CG2-CG 4.01Å
24	V	82.2	Confident	74.8	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	107.1	173.5	179.2	0	0	0	0	109.3	R26 M33 F40 L51 V53 G54 Q55 V57	V24-R26 WeakPolarHBondContact CG1-O 3.38Å; V24-M33 CarbonylContact C-O 3.55Å; V24-M33 WeakPolarHBondContact CA-O 3.3Å; V24-F40 HydrophobicContact CG1-CE1 4.42Å; V24-F40 HydrophobicContact CG1-CZ 4.23Å; V24-F40 HydrophobicContact CG2-CE1 4.47Å; V24-F40 HydrophobicContact CG2-CZ 4.29Å; V24-L51 HydrophobicContact CG2-CB 4.26Å; V24-L51 HydrophobicContact CG2-CD1 4.08Å; V24-V53 CarbonylContact O-C 2.93Å; V24-V53 WeakPolarHBondContact O-CA 3.31Å; V24-G54 PolarHBondContact O-N 2.91Å; V24-Q55 PolarHBondContact N-O 2.86Å; V24-V57 HydrophobicContact CG2-CB 4.45Å; V24-V57 HydrophobicContact CG2-CG1 3.7Å; V24-V57 HydrophobicContact CG2-CG2 3.82Å
25	T	72	Confident	76.6	Confident	47 Å²	47	72 Å²	72	29%	0.288	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-26.4	179.8	54.5	0	0	0	0	112.7	V23 M33 D36 V53	V23-T25 PolarHBondContact O-N 3.3Å; T25-M33 PolarHBondContact N-O 2.83Å; T25-M33 PolarHBondContact OG1-O 3.05Å; T25-D36 VanDerWaalsContact CB-OD1 3.24Å; T25-D36 WeakPolarHBondContact CB-OD1 3.41Å; T25-D36 HydrophobicContact CG2-CB 4.47Å; T25-D36 WeakPolarHBondContact OG1-CA 3.32Å; T25-D36 PolarHBondContact OG1-N 3.15Å; T25-D36 PolarHBondContact OG1-OD1 2.99Å; T25-V53 WeakPolarHBondContact O-CG1 3.33Å
26	R	71.5	Confident	77.7	Confident	132 Å²	132	72.6 Å²	72.6	50%	0.498	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	142.6	178.4	-54.9	-176.1	-162.3	-144.8	-2.2	110.2	V24 G32 M33 D36	V24-R26 WeakPolarHBondContact CG1-O 3.38Å; R26-G32 CarbonylContact O-C 3.53Å; R26-G32 WeakPolarHBondContact O-CA 3.47Å; R26-M33 HydrophobicContact CB-CB 4.38Å; R26-M33 PolarHBondContact N-O 2.86Å; R26-M33 PolarHBondContact O-N 2.85Å; R26-D36 IonicContact CZ-OD1 3.82Å; R26-D36 IonicContact CZ-OD2 3.39Å; R26-D36 IonicContact NE-OD1 2.7Å; R26-D36 PolarHBondContact NE-OD1 2.76Å; R26-D36 IonicContact NE-OD2 3.42Å; R26-D36 PolarHBondContact NE-OD2 3.49Å; R26-D36 IonicContact NH2-OD1 3.13Å; R26-D36 IonicContact NH2-OD2 2.67Å; R26-D36 PolarHBondContact NH2-OD2 3.06Å
27	Y	78.6	Confident	78.4	Confident	54 Å²	54	70.8 Å²	70.8	21%	0.212	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	116.6	170.6	-166.8	-102.2	0	0	0	109.3	F40 L50 L51	Y27-F40 AromaticContact CD2-CE2 3.93Å; Y27-F40 HydrophobicContact CD2-CE2 3.93Å; Y27-F40 AromaticContact CD2-CZ 3.78Å; Y27-F40 HydrophobicContact CD2-CZ 3.78Å; Y27-F40 AromaticContact CE2-CE2 3.78Å; Y27-F40 HydrophobicContact CE2-CE2 3.78Å; Y27-F40 HydrophobicContact CE2-CZ 4.12Å; Y27-L50 HydrophobicContact CE1-CB 4.37Å; Y27-L50 HydrophobicContact CE1-CD2 3.95Å; Y27-L51 HydrophobicContact CD2-CB 4.35Å; Y27-L51 HydrophobicContact CE2-CB 4.47Å
28	C	68	Low	78.9	Confident	54 Å²	54	67 Å²	67	37%	0.365	34%	0.341	S	S	.	.			trans	-104.8	169.9	170.7	-64.8	0	0	0	0	108.5	D30 Y31	C28-D30 PolarHBondContact O-N 3.24Å; C28-Y31 CarbonylContact C-O 3.6Å; C28-Y31 WeakPolarHBondContact CA-O 3.31Å; C28-Y31 HydrophobicContact CB-CD1 4.28Å; C28-Y31 HydrophobicContact CB-CE1 3.97Å; C28-Y31 HydrophobicContact CB-CE2 4.41Å; C28-Y31 WeakPolarHBondContact CB-O 3.41Å; C28-Y31 PolarHBondContact N-O 3.36Å; C28-Y31 VanDerWaalsContact O-O 3.13Å
29	S	69.3	Low	79.1	Confident	117 Å²	117	65.4 Å²	65.4	82%	0.818	33%	0.332	S	S	*	.	S	Bend	trans	-56.5	-28.7	-171.7	-50.6	0	0	0	0	115
30	D	73.3	Confident	79.2	Confident	96 Å²	96	60.6 Å²	60.6	51%	0.513	30%	0.302	S	S	.	.	S	Bend	trans	-121.9	-16	-170.9	58.3	-40.4	0	0	0	113.9	C28 S42	C28-D30 PolarHBondContact O-N 3.24Å; D30-S42 PolarHBondContact O-N 3.45Å; D30-S42 PolarHBondContact O-OG 3.16Å
31	Y	84.3	Confident	79.3	Confident	91 Å²	91	59.4 Å²	59.4	36%	0.357	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	160.7	178.1	70.5	-87.5	0	0	0	113	C28 Y39 F40	C28-Y31 CarbonylContact C-O 3.6Å; C28-Y31 WeakPolarHBondContact CA-O 3.31Å; C28-Y31 HydrophobicContact CB-CD1 4.28Å; C28-Y31 HydrophobicContact CB-CE1 3.97Å; C28-Y31 HydrophobicContact CB-CE2 4.41Å; C28-Y31 WeakPolarHBondContact CB-O 3.41Å; C28-Y31 PolarHBondContact N-O 3.36Å; C28-Y31 VanDerWaalsContact O-O 3.13Å; Y31-Y39 HydrophobicContact CD2-CD2 4.15Å; Y31-Y39 AromaticContact CD2-CE2 3.72Å; Y31-Y39 HydrophobicContact CD2-CE2 3.72Å; Y31-Y39 AromaticContact CG-CE2 3.71Å; Y31-Y39 HydrophobicContact CG-CE2 3.71Å; Y31-F40 CarbonylContact C-O 3.49Å; Y31-F40 WeakPolarHBondContact CA-O 3.21Å; Y31-F40 VanDerWaalsContact CB-O 3.29Å; Y31-F40 WeakPolarHBondContact CB-O 3.4Å
32	G	84.2	Confident	79	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	-179.8	171.4	0	0	0	0	0	113.4	R26 F40	R26-G32 CarbonylContact O-C 3.53Å; R26-G32 WeakPolarHBondContact O-CA 3.47Å; G32-F40 PolarHBondContact N-O 3.13Å; G32-F40 WeakPolarHBondContact O-CD1 3.38Å; G32-F40 PolarHBondContact O-N 3.21Å
33	M	81.7	Confident	78.8	Confident	45 Å²	45	60.9 Å²	60.9	22%	0.222	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.1	170.2	-61.5	-149.4	-59.5	0	0	111.5	V24 T25 R26 D36 I38	V24-M33 CarbonylContact C-O 3.55Å; V24-M33 WeakPolarHBondContact CA-O 3.3Å; T25-M33 PolarHBondContact N-O 2.83Å; T25-M33 PolarHBondContact OG1-O 3.05Å; R26-M33 HydrophobicContact CB-CB 4.38Å; R26-M33 PolarHBondContact N-O 2.86Å; R26-M33 PolarHBondContact O-N 2.85Å; M33-D36 HydrophobicContact CE-CB 4.19Å; M33-D36 WeakPolarHBondContact CE-OD1 3.28Å; M33-I38 CarbonylContact C-O 3.59Å; M33-I38 VanDerWaalsContact CA-O 3.27Å; M33-I38 WeakPolarHBondContact CA-O 3.29Å
34	I	82.5	Confident	78.8	Confident	1 Å²	1	59 Å²	59	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.4	173.4	-51.8	166.6	0	0	0	107.6	V23 D36 M37 I38 F40 V57 A59 V75	V23-I34 CarbonylContact O-C 3.52Å; V23-I34 WeakPolarHBondContact O-CA 3.4Å; I34-D36 PolarHBondContact O-N 2.85Å; I34-M37 PolarHBondContact O-N 3.42Å; I34-I38 HydrophobicContact CB-CB 4.19Å; I34-I38 PolarHBondContact N-O 2.85Å; I34-I38 PolarHBondContact O-N 2.93Å; I34-F40 HydrophobicContact CD1-CD1 3.99Å; I34-F40 HydrophobicContact CD1-CE1 4.21Å; I34-F40 HydrophobicContact CG1-CD1 3.72Å; I34-F40 HydrophobicContact CG1-CE1 3.63Å; I34-V57 HydrophobicContact CD1-CG2 3.61Å; I34-V57 HydrophobicContact CG1-CG2 3.84Å; I34-V57 HydrophobicContact CG2-CG2 3.88Å; I34-A59 HydrophobicContact CD1-CB 3.65Å; I34-V75 HydrophobicContact CD1-CG1 4.11Å; I34-V75 HydrophobicContact CD1-CG2 4.14Å
35	D	77.5	Confident	78.9	Confident	62 Å²	62	59.7 Å²	59.7	33%	0.332	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	26.3	-175.7	-54.8	-38.4	0	0	0	114.7	G22 V23 M37	G22-D35 WeakPolarHBondContact CA-OD2 3.29Å; V23-D35 PolarHBondContact N-OD1 2.9Å; V23-D35 PolarHBondContact O-N 2.75Å; D35-M37 HydrophobicContact CB-CE 4.34Å; D35-M37 PolarHBondContact O-N 2.83Å; D35-M37 VanDerWaalsContact O-N 3.08Å
36	D	72.8	Confident	79	Confident	75 Å²	75	61 Å²	61	40%	0.401	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	14.4	-170.3	-99.1	15.5	0	0	0	114.7	T25 R26 M33 I34	T25-D36 VanDerWaalsContact CB-OD1 3.24Å; T25-D36 WeakPolarHBondContact CB-OD1 3.41Å; T25-D36 HydrophobicContact CG2-CB 4.47Å; T25-D36 WeakPolarHBondContact OG1-CA 3.32Å; T25-D36 PolarHBondContact OG1-N 3.15Å; T25-D36 PolarHBondContact OG1-OD1 2.99Å; R26-D36 IonicContact CZ-OD1 3.82Å; R26-D36 IonicContact CZ-OD2 3.39Å; R26-D36 IonicContact NE-OD1 2.7Å; R26-D36 PolarHBondContact NE-OD1 2.76Å; R26-D36 IonicContact NE-OD2 3.42Å; R26-D36 PolarHBondContact NE-OD2 3.49Å; R26-D36 IonicContact NH2-OD1 3.13Å; R26-D36 IonicContact NH2-OD2 2.67Å; R26-D36 PolarHBondContact NH2-OD2 3.06Å; M33-D36 HydrophobicContact CE-CB 4.19Å; M33-D36 WeakPolarHBondContact CE-OD1 3.28Å; I34-D36 PolarHBondContact O-N 2.85Å
37	M	76.7	Confident	78.6	Confident	143 Å²	143	56.8 Å²	56.8	70%	0.704	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-29.5	-176.5	-68.4	-169.1	-62.5	0	0	115.1	I34 D35	I34-M37 PolarHBondContact O-N 3.42Å; D35-M37 HydrophobicContact CB-CE 4.34Å; D35-M37 PolarHBondContact O-N 2.83Å; D35-M37 VanDerWaalsContact O-N 3.08Å
38	I	82.3	Confident	77.7	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.4	-175.1	-61.1	159.8	0	0	0	108.9	V20 M33 I34 V61 L70 A72	V20-I38 HydrophobicContact CB-CD1 4.31Å; V20-I38 HydrophobicContact CG1-CD1 4.03Å; M33-I38 CarbonylContact C-O 3.59Å; M33-I38 VanDerWaalsContact CA-O 3.27Å; M33-I38 WeakPolarHBondContact CA-O 3.29Å; I34-I38 HydrophobicContact CB-CB 4.19Å; I34-I38 PolarHBondContact N-O 2.85Å; I34-I38 PolarHBondContact O-N 2.93Å; I38-V61 HydrophobicContact CD1-CG1 4.08Å; I38-V61 HydrophobicContact CG1-CG1 4.29Å; I38-V61 HydrophobicContact CG2-CG1 3.54Å; I38-L70 HydrophobicContact CG1-CB 3.96Å; I38-L70 HydrophobicContact CG1-CD1 4.09Å; I38-A72 HydrophobicContact CG2-CB 3.94Å
39	Y	83.9	Confident	77.5	Confident	98 Å²	98	68.9 Å²	68.9	38%	0.384	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.5	175.9	167.9	-90.3	0	0	0	111.2	Y31 L70 K71 A72	Y31-Y39 HydrophobicContact CD2-CD2 4.15Å; Y31-Y39 AromaticContact CD2-CE2 3.72Å; Y31-Y39 HydrophobicContact CD2-CE2 3.72Å; Y31-Y39 AromaticContact CG-CE2 3.71Å; Y31-Y39 HydrophobicContact CG-CE2 3.71Å; Y39-L70 PolarHBondContact N-O 2.9Å; Y39-K71 HydrophobicContact CD1-CG 4.19Å; Y39-K71 CarbonylContact O-C 3.47Å; Y39-K71 WeakPolarHBondContact O-CA 3.37Å; Y39-A72 PolarHBondContact O-N 2.89Å
40	F	87.7	Confident	77.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.9	171.9	71.2	-87.3	0	0	0	111.8	V24 Y27 Y31 G32 I34 V45 L51 A72 V75	V24-F40 HydrophobicContact CG1-CE1 4.42Å; V24-F40 HydrophobicContact CG1-CZ 4.23Å; V24-F40 HydrophobicContact CG2-CE1 4.47Å; V24-F40 HydrophobicContact CG2-CZ 4.29Å; Y27-F40 AromaticContact CD2-CE2 3.93Å; Y27-F40 HydrophobicContact CD2-CE2 3.93Å; Y27-F40 AromaticContact CD2-CZ 3.78Å; Y27-F40 HydrophobicContact CD2-CZ 3.78Å; Y27-F40 AromaticContact CE2-CE2 3.78Å; Y27-F40 HydrophobicContact CE2-CE2 3.78Å; Y27-F40 HydrophobicContact CE2-CZ 4.12Å; Y31-F40 CarbonylContact C-O 3.49Å; Y31-F40 WeakPolarHBondContact CA-O 3.21Å; Y31-F40 VanDerWaalsContact CB-O 3.29Å; Y31-F40 WeakPolarHBondContact CB-O 3.4Å; G32-F40 PolarHBondContact N-O 3.13Å; G32-F40 WeakPolarHBondContact O-CD1 3.38Å; G32-F40 PolarHBondContact O-N 3.21Å; I34-F40 HydrophobicContact CD1-CD1 3.99Å; I34-F40 HydrophobicContact CD1-CE1 4.21Å; I34-F40 HydrophobicContact CG1-CD1 3.72Å; I34-F40 HydrophobicContact CG1-CE1 3.63Å; F40-V45 HydrophobicContact CD2-CG2 4.02Å; F40-V45 HydrophobicContact CE2-CG2 3.71Å; F40-L51 HydrophobicContact CE2-CD1 3.77Å; F40-L51 HydrophobicContact CZ-CD1 3.8Å; F40-A72 HydrophobicContact CB-CB 3.82Å; F40-V75 HydrophobicContact CB-CG2 3.84Å; F40-V75 HydrophobicContact CD2-CG2 4.01Å; F40-V75 HydrophobicContact CG-CG2 3.94Å
41	S	83.9	Confident	77.8	Confident	22 Å²	22	65.1 Å²	65.1	15%	0.154	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	157	169	53.3	0	0	0	0	110.6	D43 A44	S41-D43 PolarHBondContact O-N 2.8Å; S41-A44 VanDerWaalsContact O-CB 3.31Å; S41-A44 WeakPolarHBondContact O-CB 3.38Å; S41-A44 PolarHBondContact O-N 3.05Å
42	S	79.8	Confident	77.6	Confident	40 Å²	40	66.1 Å²	66.1	28%	0.28	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-55.8	-35.8	176.9	53.8	0	0	0	0	112.7	D30 A44 V45	D30-S42 PolarHBondContact O-N 3.45Å; D30-S42 PolarHBondContact O-OG 3.16Å; S42-A44 PolarHBondContact O-N 3Å; S42-A44 VanDerWaalsContact O-N 3.15Å; S42-V45 WeakPolarHBondContact O-CG2 3.46Å; S42-V45 PolarHBondContact O-N 2.77Å
43	D	78.4	Confident	77.1	Confident	149 Å²	149	70.7 Å²	70.7	80%	0.797	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-59.4	-22.6	175.1	-54.3	-54.3	0	0	0	114.4	S41 V45	S41-D43 PolarHBondContact O-N 2.8Å; D43-V45 VanDerWaalsContact C-N 3.27Å; D43-V45 PolarHBondContact O-N 2.76Å
44	A	84	Confident	76.8	Confident	9 Å²	9	71.2 Å²	71.2	7%	0.074	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-76.5	-14.3	178	0	0	0	0	0	112.5	S41 S42 T46 R74 V75	S41-A44 VanDerWaalsContact O-CB 3.31Å; S41-A44 WeakPolarHBondContact O-CB 3.38Å; S41-A44 PolarHBondContact O-N 3.05Å; S42-A44 PolarHBondContact O-N 3Å; S42-A44 VanDerWaalsContact O-N 3.15Å; A44-T46 PolarHBondContact O-N 2.83Å; A44-R74 CarbonylContact O-C 3.35Å; A44-R74 WeakPolarHBondContact O-CA 3.32Å; A44-V75 HydrophobicContact CB-CG2 4.32Å; A44-V75 PolarHBondContact O-N 3.11Å
45	V	83.8	Confident	76.6	Confident	14 Å²	14	73.9 Å²	73.9	9%	0.085	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-79.2	110.8	-178	-168.4	0	0	0	0	110	F40 S42 D43 S47 L51	F40-V45 HydrophobicContact CD2-CG2 4.02Å; F40-V45 HydrophobicContact CE2-CG2 3.71Å; S42-V45 WeakPolarHBondContact O-CG2 3.46Å; S42-V45 PolarHBondContact O-N 2.77Å; D43-V45 VanDerWaalsContact C-N 3.27Å; D43-V45 PolarHBondContact O-N 2.76Å; V45-S47 VanDerWaalsContact CG1-O 3.29Å; V45-S47 WeakPolarHBondContact CG1-O 3.46Å; V45-S47 PolarHBondContact O-N 2.72Å; V45-L51 HydrophobicContact CB-CD1 4.44Å; V45-L51 HydrophobicContact CG1-CD1 3.8Å; V45-L51 HydrophobicContact CG1-CD2 4.29Å; V45-L51 HydrophobicContact CG1-CG 3.85Å; V45-L51 HydrophobicContact CG2-CD1 3.69Å; V45-L51 HydrophobicContact CG2-CG 4.33Å
46	T	74.1	Confident	76.7	Confident	74 Å²	74	74.9 Å²	74.9	45%	0.454	40%	0.4	S	S	.	.	S	Bend	trans	-70	-33.3	-169	-32.5	0	0	0	0	112.6	A44 R74 V75 E76	A44-T46 PolarHBondContact O-N 2.83Å; T46-R74 VanDerWaalsContact OG1-CG 3.25Å; T46-R74 WeakPolarHBondContact OG1-CG 3.48Å; T46-V75 PolarHBondContact N-O 3.07Å; T46-V75 PolarHBondContact OG1-O 3.43Å; T46-E76 WeakPolarHBondContact OG1-CG 3.19Å
47	S	63.7	Low	77.5	Confident	45 Å²	45	71.3 Å²	71.3	32%	0.315	38%	0.381	S	S	.	.	S	Bend	trans	-80.4	126.4	163.3	52.9	0	0	0	0	109.5	V45 V49	V45-S47 VanDerWaalsContact CG1-O 3.29Å; V45-S47 WeakPolarHBondContact CG1-O 3.46Å; V45-S47 PolarHBondContact O-N 2.72Å; S47-V49 PolarHBondContact O-N 3Å
48	R	59.4	Low	78	Confident	257 Å²	257	67.7 Å²	67.7	97%	0.97	36%	0.363	S	S	*	.	S	Bend	trans	-72.5	45.2	174.9	-62.5	-176.8	178.3	-178.3	-1.4	113.3
49	V	65.2	Low	78.3	Confident	105 Å²	105	67.5 Å²	67.5	64%	0.636	36%	0.363	S	S	*	.	S	Bend	trans	-127.5	134.2	-176.8	-177.9	0	0	0	0	106.9	S47 L51	S47-V49 PolarHBondContact O-N 3Å; V49-L51 PolarHBondContact O-N 2.95Å
50	L	68.6	Low	78.4	Confident	127 Å²	127	64 Å²	64	67%	0.665	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-62.5	131.1	179	-57.9	170.1	0	0	0	109.9	Y27	Y27-L50 HydrophobicContact CE1-CB 4.37Å; Y27-L50 HydrophobicContact CE1-CD2 3.95Å
51	L	78.9	Confident	78.5	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.031	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-80.1	138	175.6	-68.7	171.2	0	0	0	110.3	V24 Y27 F40 V45 V49 V57 V75 A77	V24-L51 HydrophobicContact CG2-CB 4.26Å; V24-L51 HydrophobicContact CG2-CD1 4.08Å; Y27-L51 HydrophobicContact CD2-CB 4.35Å; Y27-L51 HydrophobicContact CE2-CB 4.47Å; F40-L51 HydrophobicContact CE2-CD1 3.77Å; F40-L51 HydrophobicContact CZ-CD1 3.8Å; V45-L51 HydrophobicContact CB-CD1 4.44Å; V45-L51 HydrophobicContact CG1-CD1 3.8Å; V45-L51 HydrophobicContact CG1-CD2 4.29Å; V45-L51 HydrophobicContact CG1-CG 3.85Å; V45-L51 HydrophobicContact CG2-CD1 3.69Å; V45-L51 HydrophobicContact CG2-CG 4.33Å; V49-L51 PolarHBondContact O-N 2.95Å; L51-V57 HydrophobicContact CD1-CG1 4.03Å; L51-V57 HydrophobicContact CD2-CG1 3.88Å; L51-V75 HydrophobicContact CD1-CG1 3.84Å; L51-A77 HydrophobicContact CD2-CB 4.07Å
52	N	80.2	Confident	78.5	Confident	112 Å²	112	66.3 Å²	66.3	60%	0.599	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-88.2	145.3	176	-67.1	-64.7	0	0	0	111.2	G54 Q55	N52-G54 PolarHBondContact O-N 3.46Å; N52-Q55 HydrophobicContact CB-CB 4.38Å; N52-Q55 WeakPolarHBondContact O-CB 3.27Å; N52-Q55 PolarHBondContact O-N 3.12Å
53	V	74.9	Confident	78.4	Confident	96 Å²	96	69.9 Å²	69.9	58%	0.582	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	128.3	168.6	174.2	0	0	0	0	109.1	V24 T25	V24-V53 CarbonylContact O-C 2.93Å; V24-V53 WeakPolarHBondContact O-CA 3.31Å; T25-V53 WeakPolarHBondContact O-CG1 3.33Å
54	G	74.6	Confident	77.9	Confident	57 Å²	57	66.1 Å²	66.1	59%	0.588	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-2.3	-170.9	0	0	0	0	0	114.9	V24 N52	V24-G54 PolarHBondContact O-N 2.91Å; N52-G54 PolarHBondContact O-N 3.46Å
55	Q	78.7	Confident	77.1	Confident	56 Å²	56	74 Å²	74	26%	0.262	38%	0.384	S	S	.	.			trans	-82	136.4	178.5	-172.1	171.2	-7.4	0	0	112.1	V23 V24 N52	V23-Q55 WeakPolarHBondContact CA-O 3.41Å; V24-Q55 PolarHBondContact N-O 2.86Å; N52-Q55 HydrophobicContact CB-CB 4.38Å; N52-Q55 WeakPolarHBondContact O-CB 3.27Å; N52-Q55 PolarHBondContact O-N 3.12Å
56	E	79.6	Confident	75.9	Confident	84 Å²	84	79.9 Å²	79.9	39%	0.393	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	138.4	171.7	-84.5	-162.7	-153.7	0	0	112.6	R21 V23 V78	R21-E56 IonicContact CZ-OE2 2.75Å; R21-E56 IonicContact NE-OE2 2.83Å; R21-E56 PolarHBondContact NE-OE2 3.42Å; R21-E56 IonicContact NH2-OE2 2.7Å; R21-E56 PolarHBondContact NH2-OE2 2.78Å; V23-E56 HydrophobicContact CG2-CG 4.01Å; E56-V78 HydrophobicContact CB-CB 4.14Å; E56-V78 HydrophobicContact CB-CG2 4.21Å; E56-V78 PolarHBondContact O-N 3.41Å
57	V	88.3	Confident	75.1	Confident	0 Å²	0	80 Å²	80	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.1	-178.6	-70.7	0	0	0	0	111.8	R21 G22 V24 I34 L51 V75 E76	R21-V57 WeakPolarHBondContact CA-O 3.36Å; G22-V57 PolarHBondContact N-O 3.4Å; G22-V57 WeakPolarHBondContact O-CG2 3.25Å; G22-V57 PolarHBondContact O-N 3.03Å; V24-V57 HydrophobicContact CG2-CB 4.45Å; V24-V57 HydrophobicContact CG2-CG1 3.7Å; V24-V57 HydrophobicContact CG2-CG2 3.82Å; I34-V57 HydrophobicContact CD1-CG2 3.61Å; I34-V57 HydrophobicContact CG1-CG2 3.84Å; I34-V57 HydrophobicContact CG2-CG2 3.88Å; L51-V57 HydrophobicContact CD1-CG1 4.03Å; L51-V57 HydrophobicContact CD2-CG1 3.88Å; V57-V75 HydrophobicContact CB-CG1 3.78Å; V57-V75 HydrophobicContact CG1-CG1 3.84Å; V57-V75 HydrophobicContact CG2-CG1 4.16Å; V57-E76 CarbonylContact C-O 3.47Å; V57-E76 WeakPolarHBondContact CA-O 3.18Å; V57-E76 WeakPolarHBondContact CB-O 3.49Å
58	I	87.3	Confident	75	Confident	66 Å²	66	84.1 Å²	84.1	34%	0.338	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.4	165.5	-65.1	167.8	0	0	0	107.5	T19 V20 R21 V75 E76 V78	T19-I58 HydrophobicContact CG2-CG2 3.51Å; V20-I58 WeakPolarHBondContact O-CA 3.3Å; R21-I58 HydrophobicContact CB-CG1 4.43Å; R21-I58 HydrophobicContact CG-CG1 4.36Å; I58-V75 CarbonylContact O-C 3.57Å; I58-V75 WeakPolarHBondContact O-CA 3.38Å; I58-E76 PolarHBondContact N-O 2.85Å; I58-E76 PolarHBondContact O-N 2.81Å; I58-V78 HydrophobicContact CD1-CG2 4.1Å; I58-V78 HydrophobicContact CG1-CG2 3.85Å
59	A	88.8	Confident	75.4	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.008	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.6	-179.5	0	0	0	0	0	111.4	T19 V20 I34 V61 A72 R74 V75	T19-A59 CarbonylContact C-O 3.59Å; T19-A59 WeakPolarHBondContact CA-O 3.25Å; V20-A59 PolarHBondContact N-O 2.89Å; V20-A59 PolarHBondContact O-N 2.8Å; I34-A59 HydrophobicContact CD1-CB 3.65Å; A59-V61 HydrophobicContact CB-CG1 4.17Å; A59-A72 HydrophobicContact CB-CB 3.98Å; A59-R74 CarbonylContact C-O 3.57Å; A59-R74 VanDerWaalsContact CA-O 3.32Å; A59-R74 WeakPolarHBondContact CA-O 3.41Å; A59-V75 HydrophobicContact CB-CG2 4.36Å
60	V	87.5	Confident	76.1	Confident	24 Å²	24	71.3 Å²	71.3	15%	0.145	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.5	163.7	-175.6	0	0	0	0	107.3	L17 K18 A72 I73 R74	L17-V60 HydrophobicContact CB-CG1 4.19Å; L17-V60 HydrophobicContact CD1-CG1 4.4Å; K18-V60 CarbonylContact O-C 3.55Å; K18-V60 WeakPolarHBondContact O-CA 3.38Å; V60-A72 CarbonylContact O-C 3.56Å; V60-A72 VanDerWaalsContact O-CA 3.3Å; V60-A72 WeakPolarHBondContact O-CA 3.46Å; V60-I73 HydrophobicContact CB-CG1 4.28Å; V60-I73 HydrophobicContact CG1-CD1 4.22Å; V60-I73 HydrophobicContact CG1-CG1 4.11Å; V60-I73 WeakPolarHBondContact O-CG1 3.4Å; V60-I73 PolarHBondContact O-N 3.48Å; V60-R74 HydrophobicContact CB-CB 4.26Å; V60-R74 HydrophobicContact CG2-CB 4.33Å; V60-R74 PolarHBondContact N-O 2.82Å
61	V	89.7	Confident	76.9	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.018	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.6	-174.5	-56.9	0	0	0	0	112.8	L17 K18 V20 I38 A59 L70 K71 A72	L17-V61 WeakPolarHBondContact CA-O 3.48Å; K18-V61 HydrophobicContact CB-CG2 3.95Å; K18-V61 PolarHBondContact N-O 3.47Å; K18-V61 PolarHBondContact O-N 3.02Å; V20-V61 HydrophobicContact CG2-CG2 3.96Å; I38-V61 HydrophobicContact CD1-CG1 4.08Å; I38-V61 HydrophobicContact CG1-CG1 4.29Å; I38-V61 HydrophobicContact CG2-CG1 3.54Å; A59-V61 HydrophobicContact CB-CG1 4.17Å; V61-L70 HydrophobicContact CG2-CD2 4.3Å; V61-K71 CarbonylContact C-O 3.56Å; V61-K71 VanDerWaalsContact CA-O 3.31Å; V61-K71 WeakPolarHBondContact CA-O 3.38Å; V61-A72 HydrophobicContact CG1-CB 4.23Å
62	E	83.9	Confident	77.3	Confident	67 Å²	67	69 Å²	69	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.2	170.5	-173.6	175.9	-154.8	0	0	109.4	T15 L17 K71 I73	T15-E62 VanDerWaalsContact CG2-OE1 3.25Å; T15-E62 WeakPolarHBondContact CG2-OE1 3.17Å; L17-E62 HydrophobicContact CD2-CB 3.82Å; L17-E62 HydrophobicContact CD2-CG 4.19Å; E62-K71 PolarHBondContact N-O 2.93Å; E62-K71 PolarHBondContact O-N 3.04Å; E62-I73 HydrophobicContact CB-CG2 4.16Å
63	E	77.1	Confident	77.6	Confident	116 Å²	116	67.3 Å²	67.3	54%	0.542	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.5	179.9	-171.7	170.4	-175.9	0	0	110.5	K65 L70	E63-K65 PolarHBondContact O-N 2.86Å; E63-K65 VanDerWaalsContact O-N 3.16Å; E63-L70 HydrophobicContact CB-CD2 4.48Å
64	N	68.5	Low	78.1	Confident	69 Å²	69	68.2 Å²	68.2	37%	0.369	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	105.1	-176.5	-176.7	-11.2	0	0	0	111.1	V66 S67 N68 G69	N64-V66 PolarHBondContact O-N 2.91Å; N64-V66 PolarHBondContact OD1-N 3Å; N64-V66 VanDerWaalsContact OD1-N 3.07Å; N64-S67 PolarHBondContact ND2-OG 2.89Å; N64-S67 PolarHBondContact O-N 2.81Å; N64-N68 PolarHBondContact O-N 3.01Å; N64-G69 VanDerWaalsContact CB-O 3.3Å; N64-G69 WeakPolarHBondContact CB-O 3.14Å; N64-G69 PolarHBondContact N-O 2.8Å
65	K	66.6	Low	78.8	Confident	175 Å²	175	65.5 Å²	65.5	76%	0.761	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-14.1	-179.6	-60.8	-178.8	-178.6	177	0	115.8	E63	E63-K65 PolarHBondContact O-N 2.86Å; E63-K65 VanDerWaalsContact O-N 3.16Å
66	V	57.6	Low	79.1	Confident	137 Å²	137	65.9 Å²	65.9	83%	0.83	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-24	-179.9	-173.3	0	0	0	0	112.5	N64	N64-V66 PolarHBondContact O-N 2.91Å; N64-V66 PolarHBondContact OD1-N 3Å; N64-V66 VanDerWaalsContact OD1-N 3.07Å
67	S	58.2	Low	79.1	Confident	77 Å²	77	63.3 Å²	63.3	54%	0.538	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-5.1	-173.2	64.5	0	0	0	0	115.2	N64 G69	N64-S67 PolarHBondContact ND2-OG 2.89Å; N64-S67 PolarHBondContact O-N 2.81Å; S67-G69 PolarHBondContact O-N 3.08Å; S67-G69 VanDerWaalsContact O-N 3.08Å; S67-G69 PolarHBondContact OG-N 3.35Å
68	N	60.3	Low	78.5	Confident	132 Å²	132	65 Å²	65	71%	0.706	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	20.2	-167.9	-61.7	-2.4	0	0	0	113.6	N64	N64-N68 PolarHBondContact O-N 3.01Å
69	G	68.8	Low	77.2	Confident	29 Å²	29	66.1 Å²	66.1	30%	0.299	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	149.1	177.9	0	0	0	0	0	112.3	N64 S67	N64-G69 VanDerWaalsContact CB-O 3.3Å; N64-G69 WeakPolarHBondContact CB-O 3.14Å; N64-G69 PolarHBondContact N-O 2.8Å; S67-G69 PolarHBondContact O-N 3.08Å; S67-G69 VanDerWaalsContact O-N 3.08Å; S67-G69 PolarHBondContact OG-N 3.35Å
70	L	80.7	Confident	75	Confident	64 Å²	64	72.2 Å²	72.2	34%	0.335	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.4	174.7	-63.5	176.7	0	0	0	110.5	I38 Y39 V61 E63	I38-L70 HydrophobicContact CG1-CB 3.96Å; I38-L70 HydrophobicContact CG1-CD1 4.09Å; Y39-L70 PolarHBondContact N-O 2.9Å; V61-L70 HydrophobicContact CG2-CD2 4.3Å; E63-L70 HydrophobicContact CB-CD2 4.48Å
71	K	84.3	Confident	72.4	Confident	85 Å²	85	79.9 Å²	79.9	37%	0.37	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.2	171.2	174.7	175.7	178.6	-173.6	0	109.3	Y39 V61 E62	Y39-K71 HydrophobicContact CD1-CG 4.19Å; Y39-K71 CarbonylContact O-C 3.47Å; Y39-K71 WeakPolarHBondContact O-CA 3.37Å; V61-K71 CarbonylContact C-O 3.56Å; V61-K71 VanDerWaalsContact CA-O 3.31Å; V61-K71 WeakPolarHBondContact CA-O 3.38Å; E62-K71 PolarHBondContact N-O 2.93Å; E62-K71 PolarHBondContact O-N 3.04Å
72	A	87.1	Confident	69.6	Low	0 Å²	0	91 Å²	91	0%	0	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.4	166.1	0	0	0	0	0	110.5	I38 Y39 F40 A59 V60 V61 V75	I38-A72 HydrophobicContact CG2-CB 3.94Å; Y39-A72 PolarHBondContact O-N 2.89Å; F40-A72 HydrophobicContact CB-CB 3.82Å; A59-A72 HydrophobicContact CB-CB 3.98Å; V60-A72 CarbonylContact O-C 3.56Å; V60-A72 VanDerWaalsContact O-CA 3.3Å; V60-A72 WeakPolarHBondContact O-CA 3.46Å; V61-A72 HydrophobicContact CG1-CB 4.23Å; A72-V75 HydrophobicContact CB-CG2 3.62Å
73	I	87.4	Confident	66.9	Low	75 Å²	75	97.1 Å²	97.1	39%	0.385	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-16.5	173.2	59.1	165.1	0	0	0	112.3	L17 V60 E62	L17-I73 HydrophobicContact CD1-CD1 3.99Å; L17-I73 HydrophobicContact CD2-CD1 3.64Å; L17-I73 HydrophobicContact CG-CD1 4.48Å; V60-I73 HydrophobicContact CB-CG1 4.28Å; V60-I73 HydrophobicContact CG1-CD1 4.22Å; V60-I73 HydrophobicContact CG1-CG1 4.11Å; V60-I73 WeakPolarHBondContact O-CG1 3.4Å; V60-I73 PolarHBondContact O-N 3.48Å; E62-I73 HydrophobicContact CB-CG2 4.16Å
74	R	85.6	Confident	64.5	Low	116 Å²	116	98.8 Å²	98.8	44%	0.438	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	135.3	173.2	179.3	172.9	156.2	-136.5	2.9	108.9	A44 T46 A59 V60 E76	A44-R74 CarbonylContact O-C 3.35Å; A44-R74 WeakPolarHBondContact O-CA 3.32Å; T46-R74 VanDerWaalsContact OG1-CG 3.25Å; T46-R74 WeakPolarHBondContact OG1-CG 3.48Å; A59-R74 CarbonylContact C-O 3.57Å; A59-R74 VanDerWaalsContact CA-O 3.32Å; A59-R74 WeakPolarHBondContact CA-O 3.41Å; V60-R74 HydrophobicContact CB-CB 4.26Å; V60-R74 HydrophobicContact CG2-CB 4.33Å; V60-R74 PolarHBondContact N-O 2.82Å; R74-E76 HydrophobicContact CG-CG 4.49Å; R74-E76 IonicContact CZ-OE1 3.21Å; R74-E76 IonicContact CZ-OE2 3.48Å; R74-E76 IonicContact NE-OE1 2.95Å; R74-E76 PolarHBondContact NE-OE1 3.05Å; R74-E76 IonicContact NE-OE2 3.71Å; R74-E76 IonicContact NH2-OE1 2.69Å; R74-E76 PolarHBondContact NH2-OE1 2.77Å; R74-E76 IonicContact NH2-OE2 2.86Å; R74-E76 PolarHBondContact NH2-OE2 2.96Å
75	V	88.6	Confident	62.5	Low	0 Å²	0	103.4 Å²	103.4	0%	0	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.4	178.5	-175.5	0	0	0	0	108.6	I34 F40 A44 T46 L51 V57 I58 A59 A72	I34-V75 HydrophobicContact CD1-CG1 4.11Å; I34-V75 HydrophobicContact CD1-CG2 4.14Å; F40-V75 HydrophobicContact CB-CG2 3.84Å; F40-V75 HydrophobicContact CD2-CG2 4.01Å; F40-V75 HydrophobicContact CG-CG2 3.94Å; A44-V75 HydrophobicContact CB-CG2 4.32Å; A44-V75 PolarHBondContact O-N 3.11Å; T46-V75 PolarHBondContact N-O 3.07Å; T46-V75 PolarHBondContact OG1-O 3.43Å; L51-V75 HydrophobicContact CD1-CG1 3.84Å; V57-V75 HydrophobicContact CB-CG1 3.78Å; V57-V75 HydrophobicContact CG1-CG1 3.84Å; V57-V75 HydrophobicContact CG2-CG1 4.16Å; I58-V75 CarbonylContact O-C 3.57Å; I58-V75 WeakPolarHBondContact O-CA 3.38Å; A59-V75 HydrophobicContact CB-CG2 4.36Å; A72-V75 HydrophobicContact CB-CG2 3.62Å
76	E	84.6	Confident	60.7	Low	64 Å²	64	99.6 Å²	99.6	30%	0.299	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.2	179.9	-69.6	-176.1	153.2	0	0	110.1	T46 V57 I58 R74 V78	T46-E76 WeakPolarHBondContact OG1-CG 3.19Å; V57-E76 CarbonylContact C-O 3.47Å; V57-E76 WeakPolarHBondContact CA-O 3.18Å; V57-E76 WeakPolarHBondContact CB-O 3.49Å; I58-E76 PolarHBondContact N-O 2.85Å; I58-E76 PolarHBondContact O-N 2.81Å; R74-E76 HydrophobicContact CG-CG 4.49Å; R74-E76 IonicContact CZ-OE1 3.21Å; R74-E76 IonicContact CZ-OE2 3.48Å; R74-E76 IonicContact NE-OE1 2.95Å; R74-E76 PolarHBondContact NE-OE1 3.05Å; R74-E76 IonicContact NE-OE2 3.71Å; R74-E76 IonicContact NH2-OE1 2.69Å; R74-E76 PolarHBondContact NH2-OE1 2.77Å; R74-E76 IonicContact NH2-OE2 2.86Å; R74-E76 PolarHBondContact NH2-OE2 2.96Å; E76-V78 PolarHBondContact O-N 2.82Å
77	A	80.9	Confident	59.2	Low	30 Å²	30	103.8 Å²	103.8	25%	0.248	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	131.3	172.2	0	0	0	0	0	110.4	L51 S79	L51-A77 HydrophobicContact CD2-CB 4.07Å; A77-S79 PolarHBondContact O-N 2.78Å
78	V	75.6	Confident	57.8	Low	34 Å²	34	108 Å²	108	21%	0.206	54%	0.539	C	S	.	.			trans	-73.3	97.8	166.6	-178.2	0	0	0	0	107.3	E56 I58 E76 D80	E56-V78 HydrophobicContact CB-CB 4.14Å; E56-V78 HydrophobicContact CB-CG2 4.21Å; E56-V78 PolarHBondContact O-N 3.41Å; I58-V78 HydrophobicContact CD1-CG2 4.1Å; I58-V78 HydrophobicContact CG1-CG2 3.85Å; E76-V78 PolarHBondContact O-N 2.82Å; V78-D80 PolarHBondContact O-N 2.88Å
79	S	60.3	Low	56.2	Low	90 Å²	90	110.4 Å²	110.4	63%	0.629	55%	0.545	S	S	*	.			trans	-88.9	96	176	63.7	0	0	0	0	110.2	A77 K81	A77-S79 PolarHBondContact O-N 2.78Å; S79-K81 PolarHBondContact O-N 2.99Å
80	D	41	Very low	54.3	Low	130 Å²	130	112.5 Å²	112.5	70%	0.695	57%	0.567	S	S	*	*			trans	-71.3	59.5	167.7	-73.5	-31.8	0	0	0	110.9	V78 W82	V78-D80 PolarHBondContact O-N 2.88Å; D80-W82 VanDerWaalsContact C-N 3.28Å; D80-W82 PolarHBondContact O-N 2.66Å; D80-W82 VanDerWaalsContact O-N 3.12Å
81	K	33.3	Very low	52	Low	185 Å²	185	114.2 Å²	114.2	80%	0.804	59%	0.585	S	S	*	*			trans	-80.8	79.1	166.9	-76.5	-166.1	172.6	-167.4	0	109.2	S79	S79-K81 PolarHBondContact O-N 2.99Å
82	W	31.9	Very low	49.9	Very low	237 Å²	237	116.6 Å²	116.6	90%	0.898	61%	0.609	S	S	*	*			trans	-65.5	134	147.2	-76.7	71.8	0	0	0	107.9	D80 D84	D80-W82 VanDerWaalsContact C-N 3.28Å; D80-W82 PolarHBondContact O-N 2.66Å; D80-W82 VanDerWaalsContact O-N 3.12Å; W82-D84 PolarHBondContact O-N 3.28Å
83	E	26.2	Very low	47.5	Very low	195 Å²	195	121.6 Å²	121.6	91%	0.911	64%	0.644	S	S	*	*			trans	-73.2	120.1	168.1	-65	-177.4	150.6	0	0	107.9
84	D	27.5	Very low	45.3	Very low	150 Å²	150	124.5 Å²	124.5	80%	0.802	66%	0.66	S	S	*	*			trans	-144.4	114.7	161	-156	-11.5	0	0	0	109.6	W82	W82-D84 PolarHBondContact O-N 3.28Å
85	D	25.8	Very low	43.3	Very low	166 Å²	166	123.5 Å²	123.5	89%	0.888	67%	0.67	S	S	*	*			trans	-105.6	79.6	-161.4	-145.5	-3.1	0	0	0	109.7
86	S	29.4	Very low	41.4	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	69%	0.686	S	S	*	*			trans	-149.3	102.1	168.6	52.5	0	0	0	0	116
87	R	24.9	Very low	40.4	Very low	225 Å²	225	125.3 Å²	125.3	85%	0.849	69%	0.693	S	S	*	*			trans	-4.2	116.8	154.3	-60.3	172.8	-179.6	172.5	-0.5	117.1
88	N	29	Very low	40	Very low	165 Å²	165	129.8 Å²	129.8	88%	0.882	70%	0.704	S	S	*	*			trans	-140	98.4	146	-99.3	-51.6	0	0	0	110.2	G90	N88-G90 PolarHBondContact O-N 3.1Å
89	H	27	Very low	40.1	Very low	182 Å²	182	132.4 Å²	132.4	84%	0.843	72%	0.72	S	S	*	*			trans	-81.9	88.9	177.9	-75	-77.7	0	0	0	111.1
90	G	29.4	Very low	41.1	Very low	74 Å²	74	129.7 Å²	129.7	76%	0.763	70%	0.698	S	S	*	*			trans	-76.5	120.9	162.1	0	0	0	0	0	110.6	N88	N88-G90 PolarHBondContact O-N 3.1Å
91	S	32.1	Very low	42.7	Very low	100 Å²	100	128.2 Å²	128.2	70%	0.699	69%	0.689	S	S	*	*			trans	-76.3	133.4	-175.8	51.2	0	0	0	0	113.2	S93	S91-S93 PolarHBondContact O-N 3.18Å
92	P	40.8	Very low	45	Very low	135 Å²	135	119.4 Å²	119.4	88%	0.877	65%	0.651	S	S	*	*			trans	-85	98.1	179.2	32.7	-33.1	0	0	0	111.7
93	S	35.3	Very low	47.5	Very low	105 Å²	105	109.1 Å²	109.1	73%	0.734	62%	0.615	S	S	*	*			trans	-151.6	74.6	-179.8	62.2	0	0	0	0	114.2	S91	S91-S93 PolarHBondContact O-N 3.18Å
94	D	41.5	Very low	50.6	Low	135 Å²	135	99.9 Å²	99.9	72%	0.722	57%	0.571	S	S	*	*			trans	-149.6	101	153.8	-167.4	-1.1	0	0	0	111.2	G96	D94-G96 PolarHBondContact OD1-N 3.34Å
95	C	43.3	Very low	53.3	Low	95 Å²	95	94.5 Å²	94.5	64%	0.642	54%	0.544	S	S	*	.			trans	-126.8	32.7	-175.7	-164.7	0	0	0	0	111.9
96	G	49.8	Very low	56	Low	34 Å²	34	88.9 Å²	88.9	35%	0.351	52%	0.518	S	S	.	.			trans	-62.4	154.3	173	0	0	0	0	0	113.1	D94	D94-G96 PolarHBondContact OD1-N 3.34Å
97	P	62.4	Low	58.5	Low	69 Å²	69	88 Å²	88	45%	0.448	51%	0.505	S	S	.	.			trans	-61.6	144.1	170	29	-34.3	0	0	0	110.3	Y141 R142	P97-Y141 WeakPolarHBondContact CA-O 3.39Å; P97-R142 HydrophobicContact CB-CG 4.3Å
98	R	72.8	Confident	61	Low	124 Å²	124	82.2 Å²	82.2	47%	0.468	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144	-177.9	-63.6	179.2	-178.5	-178.3	-0.3	109.2	E140 Y141	R98-E140 CarbonylContact O-C 3.59Å; R98-E140 WeakPolarHBondContact O-CA 3.43Å; R98-Y141 HydrophobicContact CB-CD1 4.11Å; R98-Y141 HydrophobicContact CB-CE1 3.55Å; R98-Y141 HydrophobicContact CB-CE2 4.43Å; R98-Y141 PolarHBondContact N-O 3.01Å; R98-Y141 WeakPolarHBondContact O-CD1 3.16Å; R98-Y141 WeakPolarHBondContact O-CE1 3.4Å; R98-Y141 PolarHBondContact O-N 3.37Å
99	V	79.2	Confident	63.1	Low	88 Å²	88	84 Å²	84	53%	0.533	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139	173.6	-173.5	0	0	0	0	109.5	E138 E140	V99-E138 HydrophobicContact CG1-CG 3.68Å; V99-E140 HydrophobicContact CG2-CG 4.3Å
100	L	79.8	Confident	65.5	Low	33 Å²	33	77.5 Å²	77.5	17%	0.173	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.2	161.3	69.1	75	0	0	0	110.9	I114 T118 A139 Y141	L100-I114 HydrophobicContact CD1-CD1 4.4Å; L100-I114 HydrophobicContact CD1-CG2 3.82Å; L100-T118 HydrophobicContact CD2-CG2 3.97Å; L100-T118 VanDerWaalsContact CD2-OG1 3.29Å; L100-T118 WeakPolarHBondContact CD2-OG1 3.11Å; L100-A139 HydrophobicContact CD1-CB 3.98Å; L100-A139 HydrophobicContact CG-CB 4.39Å; L100-A139 PolarHBondContact N-O 3Å; L100-A139 PolarHBondContact O-N 2.83Å; L100-Y141 HydrophobicContact CB-CD1 3.88Å; L100-Y141 HydrophobicContact CB-CE1 3.82Å; L100-Y141 HydrophobicContact CD2-CD1 3.6Å; L100-Y141 HydrophobicContact CD2-CE1 3.99Å; L100-Y141 HydrophobicContact CD2-CG 4.03Å; L100-Y141 HydrophobicContact CG-CD1 3.76Å; L100-Y141 HydrophobicContact CG-CE1 4.19Å
101	I	75.9	Confident	68.2	Low	99 Å²	99	74.8 Å²	74.8	51%	0.508	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.2	167.8	-65.4	167.6	0	0	0	106.8	W136 V137 E138 L158	I101-W136 HydrophobicContact CG2-CE3 4.2Å; I101-W136 HydrophobicContact CG2-CZ3 4.45Å; I101-V137 WeakPolarHBondContact CA-O 3.42Å; I101-E138 HydrophobicContact CG1-CB 4.42Å; I101-E138 HydrophobicContact CG1-CG 4.21Å; I101-L158 HydrophobicContact CB-CD1 4.47Å; I101-L158 HydrophobicContact CD1-CD1 3.91Å; I101-L158 HydrophobicContact CG1-CD1 3.92Å; I101-L158 HydrophobicContact CG2-CD1 3.74Å; I101-L158 HydrophobicContact CG2-CD2 3.6Å; I101-L158 HydrophobicContact CG2-CG 4.27Å
102	G	81.8	Confident	70.9	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	176.4	-177.8	0	0	0	0	0	114.2	S115 V137	G102-S115 WeakPolarHBondContact CA-OG 3.4Å; G102-V137 PolarHBondContact N-O 2.87Å; G102-V137 PolarHBondContact O-N 2.65Å
103	C	84.3	Confident	73.1	Confident	22 Å²	22	65 Å²	65	15%	0.149	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.5	-178.2	175.1	0	0	0	0	110.3	T105 I114 S115 G134 D135 W136	C103-T105 PolarHBondContact O-N 3.29Å; C103-I114 WeakPolarHBondContact O-CA 3.44Å; C103-S115 PolarHBondContact N-OG 2.82Å; C103-S115 PolarHBondContact O-N 3.37Å; C103-G134 PolarHBondContact SG-O 3.17Å; C103-D135 WeakPolarHBondContact CA-O 3.44Å; C103-W136 HydrophobicContact CB-CD2 4.13Å; C103-W136 HydrophobicContact CB-CE3 4.27Å; C103-W136 HydrophobicContact CB-CH2 4.23Å; C103-W136 HydrophobicContact CB-CZ2 4.08Å; C103-W136 HydrophobicContact CB-CZ3 4.33Å
104	V	89.7	Confident	75.5	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	98.8	174.3	178.6	0	0	0	0	109.1	L107 F120 P131 K133 G134 D135 V137	V104-L107 HydrophobicContact CG1-CD1 4.38Å; V104-F120 HydrophobicContact CG1-CE1 4.37Å; V104-F120 HydrophobicContact CG1-CZ 4.13Å; V104-F120 HydrophobicContact CG2-CE1 4.39Å; V104-F120 HydrophobicContact CG2-CZ 4.18Å; V104-P131 HydrophobicContact CG2-CB 4.48Å; V104-K133 WeakPolarHBondContact O-CA 3.17Å; V104-G134 PolarHBondContact O-N 2.67Å; V104-D135 HydrophobicContact CG2-CB 4.46Å; V104-D135 PolarHBondContact N-O 2.73Å; V104-V137 HydrophobicContact CG2-CG1 4.01Å; V104-V137 HydrophobicContact CG2-CG2 4.08Å
105	T	84.4	Confident	77.2	Confident	37 Å²	37	56.1 Å²	56.1	23%	0.227	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-28.4	-174.1	49.5	0	0	0	0	113.8	C103 C113 Q116 K133	C103-T105 PolarHBondContact O-N 3.29Å; T105-C113 PolarHBondContact N-O 2.86Å; T105-C113 PolarHBondContact OG1-O 3.07Å; T105-Q116 HydrophobicContact CG2-CG 4.02Å; T105-Q116 PolarHBondContact OG1-N 3.49Å; T105-K133 VanDerWaalsContact O-CE 3.3Å; T105-K133 WeakPolarHBondContact O-CE 3.45Å
106	S	83.9	Confident	78.9	Confident	48 Å²	48	59.5 Å²	59.5	34%	0.336	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.1	173.9	58.4	0	0	0	0	110.6	G112 C113	S106-G112 CarbonylContact O-C 3.58Å; S106-G112 WeakPolarHBondContact O-CA 3.33Å; S106-C113 PolarHBondContact O-N 2.87Å; S106-C113 WeakPolarHBondContact OG-CB 3.11Å
107	L	81.5	Confident	80.1	Confident	77 Å²	77	62.5 Å²	62.5	40%	0.403	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.8	166	-155.5	82.9	0	0	0	107.3	V104 F120 L122 P131	V104-L107 HydrophobicContact CG1-CD1 4.38Å; L107-F120 HydrophobicContact CD1-CE2 4.39Å; L107-F120 HydrophobicContact CD1-CZ 4.03Å; L107-L122 HydrophobicContact CD1-CD1 4.25Å; L107-P131 HydrophobicContact CD1-CG 4.27Å; L107-P131 WeakPolarHBondContact CD2-O 3.49Å
108	V	78	Confident	81.2	Confident	104 Å²	104	59.4 Å²	59.4	63%	0.63	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	161.8	177	-172.6	0	0	0	0	106.3	G110 A111	V108-G110 PolarHBondContact O-N 2.98Å; V108-A111 PolarHBondContact N-O 3.05Å; V108-A111 PolarHBondContact O-N 2.93Å
109	E	72.8	Confident	81.9	Confident	203 Å²	203	59.1 Å²	59.1	95%	0.949	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	108.4	-177.1	-63.3	-176.9	160.3	0	0	111.6
110	G	77.4	Confident	82.5	Confident	46 Å²	46	54.9 Å²	54.9	47%	0.474	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-11.5	-179	0	0	0	0	0	117.5	V108 L122	V108-G110 PolarHBondContact O-N 2.98Å; G110-L122 PolarHBondContact O-N 2.88Å
111	A	86	Confident	83	Confident	16 Å²	16	55 Å²	55	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	165.2	-172.5	0	0	0	0	0	114.9	V108 Y119 F120	V108-A111 PolarHBondContact N-O 3.05Å; V108-A111 PolarHBondContact O-N 2.93Å; A111-Y119 HydrophobicContact CB-CE2 3.73Å; A111-Y119 WeakPolarHBondContact CB-OH 3.47Å; A111-F120 WeakPolarHBondContact CA-O 3.33Å
112	G	87.9	Confident	83.5	Confident	5 Å²	5	54.3 Å²	54.3	5%	0.052	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	177.3	177.7	0	0	0	0	0	114.5	S106 F120	S106-G112 CarbonylContact O-C 3.58Å; S106-G112 WeakPolarHBondContact O-CA 3.33Å; G112-F120 VanDerWaalsContact CA-CE1 3.48Å; G112-F120 PolarHBondContact N-O 3.16Å; G112-F120 VanDerWaalsContact O-CD1 3.32Å; G112-F120 WeakPolarHBondContact O-CD1 3.01Å; G112-F120 PolarHBondContact O-N 2.75Å
113	C	88	Confident	83.7	Confident	26 Å²	26	63 Å²	63	18%	0.176	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.7	176.1	-170	0	0	0	0	112.2	T105 S106 T117 T118	T105-C113 PolarHBondContact N-O 2.86Å; T105-C113 PolarHBondContact OG1-O 3.07Å; S106-C113 PolarHBondContact O-N 2.87Å; S106-C113 WeakPolarHBondContact OG-CB 3.11Å; C113-T117 PolarHBondContact SG-N 2.98Å; C113-T118 CarbonylContact C-O 3.49Å; C113-T118 WeakPolarHBondContact CA-O 3.49Å; C113-T118 PolarHBondContact SG-O 2.62Å; C113-T118 VanDerWaalsContact SG-O 3.41Å
114	I	84.4	Confident	83.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.3	177.6	-56.3	166.2	0	0	0	108.9	L100 C103 Q116 T117 T118 F120 V137 A139 V155	L100-I114 HydrophobicContact CD1-CD1 4.4Å; L100-I114 HydrophobicContact CD1-CG2 3.82Å; C103-I114 WeakPolarHBondContact O-CA 3.44Å; I114-Q116 PolarHBondContact O-N 2.97Å; I114-Q116 VanDerWaalsContact O-N 3.09Å; I114-T117 PolarHBondContact O-N 3.08Å; I114-T117 PolarHBondContact O-OG1 3.35Å; I114-T118 PolarHBondContact N-O 2.98Å; I114-T118 PolarHBondContact O-N 3.39Å; I114-T118 VanDerWaalsContact O-N 3.07Å; I114-F120 HydrophobicContact CD1-CD1 4.01Å; I114-F120 HydrophobicContact CD1-CE1 4.43Å; I114-F120 HydrophobicContact CG1-CD1 3.68Å; I114-F120 HydrophobicContact CG1-CE1 3.78Å; I114-V137 HydrophobicContact CD1-CG2 3.7Å; I114-V137 HydrophobicContact CG1-CG2 3.86Å; I114-V137 HydrophobicContact CG2-CG2 4.23Å; I114-A139 HydrophobicContact CD1-CB 3.62Å; I114-V155 HydrophobicContact CD1-CG1 4.48Å; I114-V155 HydrophobicContact CD1-CG2 4.28Å
115	S	78.7	Confident	84	Confident	53 Å²	53	63.8 Å²	63.8	37%	0.371	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	38.4	176.5	-58.8	0	0	0	0	114.1	G102 C103 T117	G102-S115 WeakPolarHBondContact CA-OG 3.4Å; C103-S115 PolarHBondContact N-OG 2.82Å; C103-S115 PolarHBondContact O-N 3.37Å; S115-T117 PolarHBondContact O-N 3.05Å; S115-T117 PolarHBondContact O-OG1 2.9Å; S115-T117 VanDerWaalsContact O-OG1 3.07Å
116	Q	78.7	Confident	84.1	Confident	166 Å²	166	64.4 Å²	64.4	78%	0.776	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	6.4	-176	-54.8	-176.3	-15.7	0	0	116.5	T105 I114	T105-Q116 HydrophobicContact CG2-CG 4.02Å; T105-Q116 PolarHBondContact OG1-N 3.49Å; I114-Q116 PolarHBondContact O-N 2.97Å; I114-Q116 VanDerWaalsContact O-N 3.09Å
117	T	75.6	Confident	84.1	Confident	97 Å²	97	71.7 Å²	71.7	60%	0.595	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-31.7	-167.4	46.3	0	0	0	0	114.3	C113 I114 S115 S150	C113-T117 PolarHBondContact SG-N 2.98Å; I114-T117 PolarHBondContact O-N 3.08Å; I114-T117 PolarHBondContact O-OG1 3.35Å; S115-T117 PolarHBondContact O-N 3.05Å; S115-T117 PolarHBondContact O-OG1 2.9Å; S115-T117 VanDerWaalsContact O-OG1 3.07Å; T117-S150 PolarHBondContact O-OG 2.77Å
118	T	84.1	Confident	84	Confident	4 Å²	4	71.4 Å²	71.4	3%	0.025	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.5	-175.3	-56.6	0	0	0	0	111.4	L100 C113 I114 S150 A152	L100-T118 HydrophobicContact CD2-CG2 3.97Å; L100-T118 VanDerWaalsContact CD2-OG1 3.29Å; L100-T118 WeakPolarHBondContact CD2-OG1 3.11Å; C113-T118 CarbonylContact C-O 3.49Å; C113-T118 WeakPolarHBondContact CA-O 3.49Å; C113-T118 PolarHBondContact SG-O 2.62Å; C113-T118 VanDerWaalsContact SG-O 3.41Å; I114-T118 PolarHBondContact N-O 2.98Å; I114-T118 PolarHBondContact O-N 3.39Å; I114-T118 VanDerWaalsContact O-N 3.07Å; T118-S150 WeakPolarHBondContact CA-O 3.47Å; T118-S150 WeakPolarHBondContact OG1-CB 3.43Å; T118-S150 PolarHBondContact OG1-OG 3.46Å; T118-A152 HydrophobicContact CG2-CB 4.1Å
119	Y	87.5	Confident	84.4	Confident	117 Å²	117	67.3 Å²	67.3	46%	0.459	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	147.2	179.6	175.9	-97	0	0	0	112.1	A111 S150 A152	A111-Y119 HydrophobicContact CB-CE2 3.73Å; A111-Y119 WeakPolarHBondContact CB-OH 3.47Å; Y119-S150 PolarHBondContact N-O 3.46Å; Y119-S150 VanDerWaalsContact N-O 3.11Å; Y119-A152 PolarHBondContact O-N 2.99Å
120	F	92.1	Very high	85	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	147.8	171.2	72.6	-84.9	0	0	0	112.3	V104 L107 A111 G112 I114 V125 P131 A152 V155	V104-F120 HydrophobicContact CG1-CE1 4.37Å; V104-F120 HydrophobicContact CG1-CZ 4.13Å; V104-F120 HydrophobicContact CG2-CE1 4.39Å; V104-F120 HydrophobicContact CG2-CZ 4.18Å; L107-F120 HydrophobicContact CD1-CE2 4.39Å; L107-F120 HydrophobicContact CD1-CZ 4.03Å; A111-F120 WeakPolarHBondContact CA-O 3.33Å; G112-F120 VanDerWaalsContact CA-CE1 3.48Å; G112-F120 PolarHBondContact N-O 3.16Å; G112-F120 VanDerWaalsContact O-CD1 3.32Å; G112-F120 WeakPolarHBondContact O-CD1 3.01Å; G112-F120 PolarHBondContact O-N 2.75Å; I114-F120 HydrophobicContact CD1-CD1 4.01Å; I114-F120 HydrophobicContact CD1-CE1 4.43Å; I114-F120 HydrophobicContact CG1-CD1 3.68Å; I114-F120 HydrophobicContact CG1-CE1 3.78Å; F120-V125 HydrophobicContact CD2-CG2 3.97Å; F120-V125 HydrophobicContact CE2-CG2 3.87Å; F120-P131 HydrophobicContact CE2-CG 4.47Å; F120-A152 HydrophobicContact CB-CB 3.95Å; F120-V155 HydrophobicContact CB-CG2 3.8Å; F120-V155 HydrophobicContact CD2-CG2 4.03Å; F120-V155 HydrophobicContact CG-CG2 4Å
121	S	89.5	Confident	85.5	Confident	35 Å²	35	61.4 Å²	61.4	25%	0.245	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	156.6	168.9	70.2	0	0	0	0	111	E123 S124	S121-E123 PolarHBondContact O-N 2.86Å; S121-S124 PolarHBondContact O-N 3.44Å; S121-S124 VanDerWaalsContact O-N 3.1Å; S121-S124 PolarHBondContact O-OG 2.79Å
122	L	87.4	Confident	85.5	Confident	84 Å²	84	62.4 Å²	62.4	44%	0.44	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-64.3	-25.9	176.9	-139.1	72.5	0	0	0	112.9	L107 G110 S124 V125 P131	L107-L122 HydrophobicContact CD1-CD1 4.25Å; G110-L122 PolarHBondContact O-N 2.88Å; L122-S124 PolarHBondContact O-N 2.89Å; L122-V125 HydrophobicContact CD1-CG2 4.48Å; L122-V125 WeakPolarHBondContact O-CB 3.38Å; L122-V125 WeakPolarHBondContact O-CG2 3.18Å; L122-V125 PolarHBondContact O-N 2.96Å; L122-P131 HydrophobicContact CD1-CG 4.19Å
123	E	85.9	Confident	85.3	Confident	184 Å²	184	69.2 Å²	69.2	86%	0.86	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-65.1	-23.3	174.2	-58	173.4	159.6	0	0	113.3	S121 V125	S121-E123 PolarHBondContact O-N 2.86Å; E123-V125 VanDerWaalsContact C-N 3.28Å
124	S	89	Confident	85.1	Confident	16 Å²	16	68.3 Å²	68.3	11%	0.112	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-81.4	-6.2	176.3	71.8	0	0	0	0	113.7	S121 L122 S154 V155	S121-S124 PolarHBondContact O-N 3.44Å; S121-S124 VanDerWaalsContact O-N 3.1Å; S121-S124 PolarHBondContact O-OG 2.79Å; L122-S124 PolarHBondContact O-N 2.89Å; S124-S154 CarbonylContact O-C 3.5Å; S124-S154 WeakPolarHBondContact O-CA 3.31Å; S124-V155 PolarHBondContact O-N 3.01Å
125	V	90.8	Very high	85.4	Confident	22 Å²	22	68.3 Å²	68.3	13%	0.133	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-86.7	138.9	-176.2	-172.6	0	0	0	0	110.8	F120 L122 E123 F129 P131 V155	F120-V125 HydrophobicContact CD2-CG2 3.97Å; F120-V125 HydrophobicContact CE2-CG2 3.87Å; L122-V125 HydrophobicContact CD1-CG2 4.48Å; L122-V125 WeakPolarHBondContact O-CB 3.38Å; L122-V125 WeakPolarHBondContact O-CG2 3.18Å; L122-V125 PolarHBondContact O-N 2.96Å; E123-V125 VanDerWaalsContact C-N 3.28Å; V125-F129 HydrophobicContact CG1-CD1 3.69Å; V125-F129 HydrophobicContact CG1-CE1 4.37Å; V125-P131 HydrophobicContact CG1-CG 4.28Å; V125-P131 HydrophobicContact CG2-CG 4.28Å; V125-V155 CarbonylContact C-O 3.57Å; V125-V155 WeakPolarHBondContact CA-O 3.46Å; V125-V155 HydrophobicContact CG2-CB 4.26Å
126	C	88	Confident	85.7	Confident	49 Å²	49	70.1 Å²	70.1	33%	0.331	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-63.3	142.7	179.5	66.3	0	0	0	0	113.4	F129 V155 K156 P157	C126-F129 PolarHBondContact O-N 3.05Å; C126-V155 PolarHBondContact N-O 2.85Å; C126-K156 HydrophobicContact CB-CB 4.3Å; C126-P157 WeakPolarHBondContact SG-CD 3.41Å
127	E	84	Confident	86.3	Confident	202 Å²	202	62.2 Å²	62.2	94%	0.944	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	139.4	-177.8	-168.8	178	-177.8	0	0	113	F129	E127-F129 VanDerWaalsContact C-N 3.29Å; E127-F129 PolarHBondContact O-N 3.5Å
128	G	77.6	Confident	86.9	Confident	70 Å²	70	60.1 Å²	60.1	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-6.7	178.8	0	0	0	0	0	115.8
129	F	87.6	Confident	87.1	Confident	18 Å²	18	60 Å²	60	8%	0.079	31%	0.309	C	S	.	.			trans	-105.5	117.1	175.4	174	-121.6	0	0	0	112	V125 C126 E127 P131 D135 V137 P157 V208	V125-F129 HydrophobicContact CG1-CD1 3.69Å; V125-F129 HydrophobicContact CG1-CE1 4.37Å; C126-F129 PolarHBondContact O-N 3.05Å; E127-F129 VanDerWaalsContact C-N 3.29Å; E127-F129 PolarHBondContact O-N 3.5Å; F129-P131 HydrophobicContact CD1-CB 4.47Å; F129-P131 HydrophobicContact CE1-CB 3.74Å; F129-P131 HydrophobicContact CZ-CB 3.89Å; F129-P131 WeakPolarHBondContact O-CD 3.29Å; F129-D135 HydrophobicContact CZ-CB 4.2Å; F129-V137 HydrophobicContact CE1-CG1 3.98Å; F129-V137 HydrophobicContact CZ-CG1 4.34Å; F129-P157 HydrophobicContact CB-CG 4.44Å; F129-P157 HydrophobicContact CD1-CB 4.24Å; F129-P157 HydrophobicContact CD1-CG 4.13Å; F129-P157 HydrophobicContact CD2-CB 4.11Å; F129-P157 HydrophobicContact CD2-CG 4.12Å; F129-P157 HydrophobicContact CE1-CB 4.03Å; F129-P157 HydrophobicContact CE1-CG 4.41Å; F129-P157 HydrophobicContact CE2-CB 3.91Å; F129-P157 HydrophobicContact CE2-CG 4.44Å; F129-P157 HydrophobicContact CG-CB 4.28Å; F129-P157 HydrophobicContact CG-CG 3.97Å; F129-P157 HydrophobicContact CZ-CB 3.87Å; F129-V208 HydrophobicContact CD2-CG1 4.34Å; F129-V208 HydrophobicContact CE2-CG1 4.15Å; F129-V208 HydrophobicContact CE2-CG2 4.4Å
130	E	85.3	Confident	87.1	Confident	116 Å²	116	58.5 Å²	58.5	54%	0.542	31%	0.307	S	S	.	.			trans	-97.8	105.3	172.1	-71.8	160.6	-125.7	0	0	109.3	K190 R218	E130-K190 IonicContact OE1-NZ 3.72Å; E130-K190 PolarHBondContact OE1-NZ 3.14Å; E130-R218 PolarHBondContact O-NH2 3.07Å
131	P	87	Confident	86.8	Confident	9 Å²	9	60.5 Å²	60.5	6%	0.058	32%	0.315	C	S	.	.			trans	-75.4	129.9	-175.3	28.9	-33.3	0	0	0	111.3	V104 L107 F120 L122 V125 F129	V104-P131 HydrophobicContact CG2-CB 4.48Å; L107-P131 HydrophobicContact CD1-CG 4.27Å; L107-P131 WeakPolarHBondContact CD2-O 3.49Å; F120-P131 HydrophobicContact CE2-CG 4.47Å; L122-P131 HydrophobicContact CD1-CG 4.19Å; V125-P131 HydrophobicContact CG1-CG 4.28Å; V125-P131 HydrophobicContact CG2-CG 4.28Å; F129-P131 HydrophobicContact CD1-CB 4.47Å; F129-P131 HydrophobicContact CE1-CB 3.74Å; F129-P131 HydrophobicContact CZ-CB 3.89Å; F129-P131 WeakPolarHBondContact O-CD 3.29Å
132	C	86.4	Confident	86.4	Confident	37 Å²	37	65.4 Å²	65.4	25%	0.25	33%	0.328	C	S	.	.			trans	-104.7	157.6	172.3	-73.8	0	0	0	0	111.4	G134 D135	C132-G134 PolarHBondContact O-N 3.07Å; C132-D135 PolarHBondContact N-OD2 3.5Å; C132-D135 VanDerWaalsContact O-CB 3.3Å; C132-D135 WeakPolarHBondContact O-CB 3.4Å; C132-D135 VanDerWaalsContact O-CG 3.31Å; C132-D135 PolarHBondContact O-N 3.05Å
133	K	84.3	Confident	85.8	Confident	148 Å²	148	63.7 Å²	63.7	64%	0.643	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	127.8	169.7	-178.4	179.1	176.8	178.8	0	109.6	V104 T105 Q212	V104-K133 WeakPolarHBondContact O-CA 3.17Å; T105-K133 VanDerWaalsContact O-CE 3.3Å; T105-K133 WeakPolarHBondContact O-CE 3.45Å; K133-Q212 PolarHBondContact O-NE2 3.05Å
134	G	83	Confident	84.9	Confident	7 Å²	7	60.9 Å²	60.9	7%	0.072	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	-17.9	-174.6	0	0	0	0	0	114.7	C103 V104 C132 S210 S211	C103-G134 PolarHBondContact SG-O 3.17Å; V104-G134 PolarHBondContact O-N 2.67Å; C132-G134 PolarHBondContact O-N 3.07Å; G134-S210 CarbonylContact O-C 3.57Å; G134-S210 WeakPolarHBondContact O-CA 3.15Å; G134-S210 PolarHBondContact O-OG 3.09Å; G134-S211 PolarHBondContact O-N 2.87Å
135	D	90.6	Very high	83.7	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-63.7	140.3	179	-69.9	-0.7	0	0	0	111.4	C103 V104 F129 C132 S210 R218	C103-D135 WeakPolarHBondContact CA-O 3.44Å; V104-D135 HydrophobicContact CG2-CB 4.46Å; V104-D135 PolarHBondContact N-O 2.73Å; F129-D135 HydrophobicContact CZ-CB 4.2Å; C132-D135 PolarHBondContact N-OD2 3.5Å; C132-D135 VanDerWaalsContact O-CB 3.3Å; C132-D135 WeakPolarHBondContact O-CB 3.4Å; C132-D135 VanDerWaalsContact O-CG 3.31Å; C132-D135 PolarHBondContact O-N 3.05Å; D135-S210 WeakPolarHBondContact CA-OG 3.39Å; D135-S210 PolarHBondContact N-OG 2.85Å; D135-S210 VanDerWaalsContact N-OG 3.13Å; D135-S210 WeakPolarHBondContact OD1-CB 3.39Å; D135-S210 PolarHBondContact OD1-OG 3.22Å; D135-R218 IonicContact OD1-CZ 3.72Å; D135-R218 IonicContact OD1-NE 3.71Å; D135-R218 PolarHBondContact OD1-NE 2.95Å; D135-R218 IonicContact OD1-NH2 3.4Å; D135-R218 IonicContact OD2-CZ 2.69Å; D135-R218 IonicContact OD2-NE 2.86Å; D135-R218 PolarHBondContact OD2-NE 2.83Å; D135-R218 IonicContact OD2-NH2 3.28Å; D135-R218 PolarHBondContact OD2-NH2 2.79Å
136	W	86.1	Confident	82.3	Confident	91 Å²	91	67.9 Å²	67.9	35%	0.345	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.1	174	-78.1	91.6	0	0	0	110.8	I101 C103 L158 E209	I101-W136 HydrophobicContact CG2-CE3 4.2Å; I101-W136 HydrophobicContact CG2-CZ3 4.45Å; C103-W136 HydrophobicContact CB-CD2 4.13Å; C103-W136 HydrophobicContact CB-CE3 4.27Å; C103-W136 HydrophobicContact CB-CH2 4.23Å; C103-W136 HydrophobicContact CB-CZ2 4.08Å; C103-W136 HydrophobicContact CB-CZ3 4.33Å; W136-L158 HydrophobicContact CB-CB 4Å; W136-L158 HydrophobicContact CB-CD2 3.97Å; W136-L158 HydrophobicContact CE3-CD2 4.47Å; W136-L158 WeakPolarHBondContact O-CB 3.38Å; W136-L158 PolarHBondContact O-N 3.02Å; W136-E209 HydrophobicContact CB-CB 4.49Å; W136-E209 HydrophobicContact CB-CG 4.17Å; W136-E209 HydrophobicContact CG-CG 4.34Å; W136-E209 PolarHBondContact N-O 2.85Å
137	V	91.3	Very high	81.3	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.3	-176.3	-66	0	0	0	0	111.7	I101 G102 V104 I114 F129 V155 K156	I101-V137 WeakPolarHBondContact CA-O 3.42Å; G102-V137 PolarHBondContact N-O 2.87Å; G102-V137 PolarHBondContact O-N 2.65Å; V104-V137 HydrophobicContact CG2-CG1 4.01Å; V104-V137 HydrophobicContact CG2-CG2 4.08Å; I114-V137 HydrophobicContact CD1-CG2 3.7Å; I114-V137 HydrophobicContact CG1-CG2 3.86Å; I114-V137 HydrophobicContact CG2-CG2 4.23Å; F129-V137 HydrophobicContact CE1-CG1 3.98Å; F129-V137 HydrophobicContact CZ-CG1 4.34Å; V137-V155 HydrophobicContact CB-CG1 3.75Å; V137-V155 HydrophobicContact CG1-CG1 3.81Å; V137-V155 HydrophobicContact CG2-CG1 3.96Å; V137-K156 CarbonylContact C-O 3.58Å; V137-K156 WeakPolarHBondContact CA-O 3.37Å; V137-K156 VanDerWaalsContact CB-O 3.31Å; V137-K156 WeakPolarHBondContact CB-O 3.36Å
138	E	86.9	Confident	80.2	Confident	53 Å²	53	70.2 Å²	70.2	25%	0.248	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.4	161.1	-173.2	-174	122.2	0	0	107.6	V99 I101 K156 L158	V99-E138 HydrophobicContact CG1-CG 3.68Å; I101-E138 HydrophobicContact CG1-CB 4.42Å; I101-E138 HydrophobicContact CG1-CG 4.21Å; E138-K156 HydrophobicContact CB-CG 4.18Å; E138-K156 PolarHBondContact N-O 2.88Å; E138-K156 PolarHBondContact O-N 3.47Å; E138-K156 WeakPolarHBondContact OE1-CE 3.3Å; E138-K156 IonicContact OE1-NZ 2.66Å; E138-K156 PolarHBondContact OE1-NZ 3.33Å; E138-K156 IonicContact OE2-NZ 2.7Å; E138-L158 HydrophobicContact CB-CD1 4.14Å
139	A	88.8	Confident	79.8	Confident	2 Å²	2	69.2 Å²	69.2	2%	0.017	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.6	-176.8	0	0	0	0	0	112.6	L100 I114 A152 S154 V155	L100-A139 HydrophobicContact CD1-CB 3.98Å; L100-A139 HydrophobicContact CG-CB 4.39Å; L100-A139 PolarHBondContact N-O 3Å; L100-A139 PolarHBondContact O-N 2.83Å; I114-A139 HydrophobicContact CD1-CB 3.62Å; A139-A152 HydrophobicContact CB-CB 4.17Å; A139-S154 CarbonylContact C-O 3.43Å; A139-S154 WeakPolarHBondContact CA-O 3.2Å; A139-S154 WeakPolarHBondContact CB-O 3.41Å; A139-V155 HydrophobicContact CB-CG2 4.05Å
140	E	88	Confident	79.5	Confident	86 Å²	86	69.4 Å²	69.4	40%	0.402	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.1	167.5	-71.6	-177.2	-166.7	0	0	109.4	R98 V99 A152 T153 S154	R98-E140 CarbonylContact O-C 3.59Å; R98-E140 WeakPolarHBondContact O-CA 3.43Å; V99-E140 HydrophobicContact CG2-CG 4.3Å; E140-A152 CarbonylContact O-C 3.56Å; E140-A152 WeakPolarHBondContact O-CA 3.38Å; E140-T153 PolarHBondContact O-N 2.87Å; E140-T153 PolarHBondContact O-OG1 2.96Å; E140-S154 PolarHBondContact N-O 3.37Å
141	Y	85.9	Confident	79.5	Confident	42 Å²	42	66.7 Å²	66.7	17%	0.165	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	159.8	-177.5	79.4	-82.6	0	0	0	113.8	P97 R98 L100 I143 E151	P97-Y141 WeakPolarHBondContact CA-O 3.39Å; R98-Y141 HydrophobicContact CB-CD1 4.11Å; R98-Y141 HydrophobicContact CB-CE1 3.55Å; R98-Y141 HydrophobicContact CB-CE2 4.43Å; R98-Y141 PolarHBondContact N-O 3.01Å; R98-Y141 WeakPolarHBondContact O-CD1 3.16Å; R98-Y141 WeakPolarHBondContact O-CE1 3.4Å; R98-Y141 PolarHBondContact O-N 3.37Å; L100-Y141 HydrophobicContact CB-CD1 3.88Å; L100-Y141 HydrophobicContact CB-CE1 3.82Å; L100-Y141 HydrophobicContact CD2-CD1 3.6Å; L100-Y141 HydrophobicContact CD2-CE1 3.99Å; L100-Y141 HydrophobicContact CD2-CG 4.03Å; L100-Y141 HydrophobicContact CG-CD1 3.76Å; L100-Y141 HydrophobicContact CG-CE1 4.19Å; Y141-I143 HydrophobicContact CD2-CG1 4.26Å; Y141-I143 HydrophobicContact CE2-CD1 4.21Å; Y141-I143 HydrophobicContact CE2-CG1 3.76Å; Y141-E151 CarbonylContact C-O 3.6Å; Y141-E151 WeakPolarHBondContact CA-O 3.3Å; Y141-E151 WeakPolarHBondContact CB-O 3.37Å
142	R	79.7	Confident	79.6	Confident	137 Å²	137	66.6 Å²	66.6	52%	0.517	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.1	172.7	-59.6	-179.5	-173.4	-171.7	0.4	109.3	P97 S150 E151	P97-R142 HydrophobicContact CB-CG 4.3Å; R142-S150 WeakPolarHBondContact O-CA 3.5Å; R142-E151 PolarHBondContact N-O 3.26Å; R142-E151 PolarHBondContact O-N 2.9Å
143	I	75.7	Confident	79.7	Confident	49 Å²	49	68 Å²	68	25%	0.251	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.7	176.1	-57.4	174.4	0	0	0	107.6	Y141 P145 W148	Y141-I143 HydrophobicContact CD2-CG1 4.26Å; Y141-I143 HydrophobicContact CE2-CD1 4.21Å; Y141-I143 HydrophobicContact CE2-CG1 3.76Å; I143-P145 VanDerWaalsContact O-CD 3.28Å; I143-P145 WeakPolarHBondContact O-CD 3.24Å; I143-W148 HydrophobicContact CG2-CE3 4.12Å
144	R	67.9	Low	80	Confident	125 Å²	125	63.4 Å²	63.4	47%	0.472	33%	0.331	S	S	.	.			trans	-75.3	113.9	176	-67.7	-175.5	177.8	-168.1	1.6	109.6	G146 T147 W148 S149 E151	R144-G146 VanDerWaalsContact C-N 3.28Å; R144-G146 PolarHBondContact O-N 2.68Å; R144-G146 VanDerWaalsContact O-N 3.13Å; R144-T147 WeakPolarHBondContact CB-OG1 3.32Å; R144-T147 PolarHBondContact O-N 3.42Å; R144-W148 WeakPolarHBondContact O-CA 3.31Å; R144-W148 PolarHBondContact O-N 3.27Å; R144-S149 PolarHBondContact N-O 2.83Å; R144-E151 IonicContact CZ-OE1 3.19Å; R144-E151 IonicContact CZ-OE2 2.74Å; R144-E151 IonicContact NE-OE2 3.75Å; R144-E151 PolarHBondContact NE-OE2 2.81Å; R144-E151 IonicContact NH2-OE1 2.92Å; R144-E151 PolarHBondContact NH2-OE1 2.91Å; R144-E151 IonicContact NH2-OE2 3.88Å; R144-E151 PolarHBondContact NH2-OE2 3.39Å
145	P	62.7	Low	80.4	Confident	103 Å²	103	63 Å²	63	67%	0.669	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.4	-168.2	-26.3	36.3	0	0	0	115.7	I143 W148	I143-P145 VanDerWaalsContact O-CD 3.28Å; I143-P145 WeakPolarHBondContact O-CD 3.24Å; P145-W148 PolarHBondContact O-NE1 2.89Å
146	G	62.2	Low	80.4	Confident	82 Å²	82	67.2 Å²	67.2	85%	0.845	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-23.8	179.5	0	0	0	0	0	115	R144	R144-G146 VanDerWaalsContact C-N 3.28Å; R144-G146 PolarHBondContact O-N 2.68Å; R144-G146 VanDerWaalsContact O-N 3.13Å
147	T	66.3	Low	80.6	Confident	95 Å²	95	64 Å²	64	58%	0.583	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-11.4	-177.6	50.8	0	0	0	0	113.5	R144 S149	R144-T147 WeakPolarHBondContact CB-OG1 3.32Å; R144-T147 PolarHBondContact O-N 3.42Å; T147-S149 PolarHBondContact O-N 3.04Å; T147-S149 PolarHBondContact OG1-OG 2.96Å
148	W	60.4	Low	80.1	Confident	204 Å²	204	66 Å²	66	77%	0.773	35%	0.347	S	S	*	.			trans	54.8	11.4	-171.1	-76	80.4	0	0	0	115.5	I143 R144 P145	I143-W148 HydrophobicContact CG2-CE3 4.12Å; R144-W148 WeakPolarHBondContact O-CA 3.31Å; R144-W148 PolarHBondContact O-N 3.27Å; P145-W148 PolarHBondContact O-NE1 2.89Å
149	S	69.6	Low	79.7	Confident	50 Å²	50	67.8 Å²	67.8	35%	0.35	35%	0.352	S	S	.	.			trans	-76.7	136.5	175	59.3	0	0	0	0	111.4	R144 T147	R144-S149 PolarHBondContact N-O 2.83Å; T147-S149 PolarHBondContact O-N 3.04Å; T147-S149 PolarHBondContact OG1-OG 2.96Å
150	S	81	Confident	79.7	Confident	21 Å²	21	75.9 Å²	75.9	15%	0.147	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.7	172.6	43.2	0	0	0	0	112.5	T117 T118 Y119 R142	T117-S150 PolarHBondContact O-OG 2.77Å; T118-S150 WeakPolarHBondContact CA-O 3.47Å; T118-S150 WeakPolarHBondContact OG1-CB 3.43Å; T118-S150 PolarHBondContact OG1-OG 3.46Å; Y119-S150 PolarHBondContact N-O 3.46Å; Y119-S150 VanDerWaalsContact N-O 3.11Å; R142-S150 WeakPolarHBondContact O-CA 3.5Å
151	E	86.3	Confident	79.2	Confident	59 Å²	59	75.6 Å²	75.6	28%	0.276	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.1	-179.4	172.9	171.8	-133	0	0	109.3	Y141 R142 R144	Y141-E151 CarbonylContact C-O 3.6Å; Y141-E151 WeakPolarHBondContact CA-O 3.3Å; Y141-E151 WeakPolarHBondContact CB-O 3.37Å; R142-E151 PolarHBondContact N-O 3.26Å; R142-E151 PolarHBondContact O-N 2.9Å; R144-E151 IonicContact CZ-OE1 3.19Å; R144-E151 IonicContact CZ-OE2 2.74Å; R144-E151 IonicContact NE-OE2 3.75Å; R144-E151 PolarHBondContact NE-OE2 2.81Å; R144-E151 IonicContact NH2-OE1 2.92Å; R144-E151 PolarHBondContact NH2-OE1 2.91Å; R144-E151 IonicContact NH2-OE2 3.88Å; R144-E151 PolarHBondContact NH2-OE2 3.39Å
152	A	89	Confident	79.1	Confident	7 Å²	7	81.7 Å²	81.7	6%	0.058	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.2	-179.8	0	0	0	0	0	112	T118 Y119 F120 A139 E140 V155	T118-A152 HydrophobicContact CG2-CB 4.1Å; Y119-A152 PolarHBondContact O-N 2.99Å; F120-A152 HydrophobicContact CB-CB 3.95Å; A139-A152 HydrophobicContact CB-CB 4.17Å; E140-A152 CarbonylContact O-C 3.56Å; E140-A152 WeakPolarHBondContact O-CA 3.38Å; A152-V155 HydrophobicContact CB-CG2 4.05Å
153	T	87.5	Confident	79.1	Confident	66 Å²	66	76 Å²	76	41%	0.405	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-13.6	178.3	50.6	0	0	0	0	113.4	E140	E140-T153 PolarHBondContact O-N 2.87Å; E140-T153 PolarHBondContact O-OG1 2.96Å
154	S	90.7	Very high	79.4	Confident	52 Å²	52	77.2 Å²	77.2	36%	0.364	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	140.7	172.7	-175.2	0	0	0	0	109.6	S124 A139 E140	S124-S154 CarbonylContact O-C 3.5Å; S124-S154 WeakPolarHBondContact O-CA 3.31Å; A139-S154 CarbonylContact C-O 3.43Å; A139-S154 WeakPolarHBondContact CA-O 3.2Å; A139-S154 WeakPolarHBondContact CB-O 3.41Å; E140-S154 PolarHBondContact N-O 3.37Å
155	V	92.5	Very high	80	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.8	-179	-176.3	0	0	0	0	110	I114 F120 S124 V125 C126 V137 A139 A152	I114-V155 HydrophobicContact CD1-CG1 4.48Å; I114-V155 HydrophobicContact CD1-CG2 4.28Å; F120-V155 HydrophobicContact CB-CG2 3.8Å; F120-V155 HydrophobicContact CD2-CG2 4.03Å; F120-V155 HydrophobicContact CG-CG2 4Å; S124-V155 PolarHBondContact O-N 3.01Å; V125-V155 CarbonylContact C-O 3.57Å; V125-V155 WeakPolarHBondContact CA-O 3.46Å; V125-V155 HydrophobicContact CG2-CB 4.26Å; C126-V155 PolarHBondContact N-O 2.85Å; V137-V155 HydrophobicContact CB-CG1 3.75Å; V137-V155 HydrophobicContact CG1-CG1 3.81Å; V137-V155 HydrophobicContact CG2-CG1 3.96Å; A139-V155 HydrophobicContact CB-CG2 4.05Å; A152-V155 HydrophobicContact CB-CG2 4.05Å
156	K	89.6	Confident	80.8	Confident	88 Å²	88	74.3 Å²	74.3	38%	0.383	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.3	177.9	69.6	-168.7	176.3	-165	0	111	C126 V137 E138 L158	C126-K156 HydrophobicContact CB-CB 4.3Å; V137-K156 CarbonylContact C-O 3.58Å; V137-K156 WeakPolarHBondContact CA-O 3.37Å; V137-K156 VanDerWaalsContact CB-O 3.31Å; V137-K156 WeakPolarHBondContact CB-O 3.36Å; E138-K156 HydrophobicContact CB-CG 4.18Å; E138-K156 PolarHBondContact N-O 2.88Å; E138-K156 PolarHBondContact O-N 3.47Å; E138-K156 WeakPolarHBondContact OE1-CE 3.3Å; E138-K156 IonicContact OE1-NZ 2.66Å; E138-K156 PolarHBondContact OE1-NZ 3.33Å; E138-K156 IonicContact OE2-NZ 2.7Å; K156-L158 PolarHBondContact O-N 2.96Å
157	P	90.1	Very high	81.6	Confident	24 Å²	24	72.2 Å²	72.2	16%	0.156	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	132.1	176.8	26.8	-32	0	0	0	109.5	C126 F129 R159 V208	C126-P157 WeakPolarHBondContact SG-CD 3.41Å; F129-P157 HydrophobicContact CB-CG 4.44Å; F129-P157 HydrophobicContact CD1-CB 4.24Å; F129-P157 HydrophobicContact CD1-CG 4.13Å; F129-P157 HydrophobicContact CD2-CB 4.11Å; F129-P157 HydrophobicContact CD2-CG 4.12Å; F129-P157 HydrophobicContact CE1-CB 4.03Å; F129-P157 HydrophobicContact CE1-CG 4.41Å; F129-P157 HydrophobicContact CE2-CB 3.91Å; F129-P157 HydrophobicContact CE2-CG 4.44Å; F129-P157 HydrophobicContact CG-CB 4.28Å; F129-P157 HydrophobicContact CG-CG 3.97Å; F129-P157 HydrophobicContact CZ-CB 3.87Å; P157-R159 VanDerWaalsContact C-N 3.32Å; P157-R159 PolarHBondContact O-N 3.37Å; P157-V208 HydrophobicContact CB-CG1 4.25Å
158	L	82.2	Confident	82.3	Confident	41 Å²	41	67.7 Å²	67.7	22%	0.215	32%	0.316	C	S	.	.	S	Bend	trans	-59.7	-44.2	-174.8	180	64.4	0	0	0	111.5	I101 W136 E138 K156	I101-L158 HydrophobicContact CB-CD1 4.47Å; I101-L158 HydrophobicContact CD1-CD1 3.91Å; I101-L158 HydrophobicContact CG1-CD1 3.92Å; I101-L158 HydrophobicContact CG2-CD1 3.74Å; I101-L158 HydrophobicContact CG2-CD2 3.6Å; I101-L158 HydrophobicContact CG2-CG 4.27Å; W136-L158 HydrophobicContact CB-CB 4Å; W136-L158 HydrophobicContact CB-CD2 3.97Å; W136-L158 HydrophobicContact CE3-CD2 4.47Å; W136-L158 WeakPolarHBondContact O-CB 3.38Å; W136-L158 PolarHBondContact O-N 3.02Å; E138-L158 HydrophobicContact CB-CD1 4.14Å; K156-L158 PolarHBondContact O-N 2.96Å
159	R	77.5	Confident	82.6	Confident	91 Å²	91	58.9 Å²	58.9	34%	0.343	29%	0.285	S	S	.	.			trans	-146.1	142.7	174.2	-69.2	-174.7	-75.8	-137.5	-2	110.7	P157 E209 W217	P157-R159 VanDerWaalsContact C-N 3.32Å; P157-R159 PolarHBondContact O-N 3.37Å; R159-E209 HydrophobicContact CB-CB 4.27Å; R159-E209 IonicContact CZ-OE1 2.69Å; R159-E209 IonicContact CZ-OE2 2.68Å; R159-E209 VanDerWaalsContact CZ-OE2 3.24Å; R159-E209 IonicContact NE-OE1 2.81Å; R159-E209 IonicContact NE-OE2 2.69Å; R159-E209 PolarHBondContact NE-OE2 2.9Å; R159-E209 VanDerWaalsContact NH2-CD 3.26Å; R159-E209 IonicContact NH2-OE1 2.72Å; R159-E209 PolarHBondContact NH2-OE1 3.42Å; R159-E209 IonicContact NH2-OE2 2.72Å; R159-E209 PolarHBondContact NH2-OE2 3.04Å; R159-E209 PolarHBondContact O-N 2.79Å; R159-W217 HydrophobicContact CB-CH2 4.21Å
160	Y	88.8	Confident	82.4	Confident	172 Å²	172	58.4 Å²	58.4	68%	0.675	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	153.9	167.8	72.2	-84.2	0	0	0	110	V207	Y160-V207 CarbonylContact C-O 3.51Å; Y160-V207 VanDerWaalsContact CA-O 3.23Å; Y160-V207 WeakPolarHBondContact CA-O 3.35Å; Y160-V207 WeakPolarHBondContact CB-O 3.22Å
161	K	78.2	Confident	81.9	Confident	79 Å²	79	60.8 Å²	60.8	34%	0.343	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	160	175.6	66.4	173.8	-179	171.3	0	111.9	V163 V207 W217	K161-V163 HydrophobicContact CD-CG1 4.15Å; K161-V163 HydrophobicContact CG-CG1 4.41Å; K161-V207 HydrophobicContact CD-CG2 4.19Å; K161-V207 HydrophobicContact CG-CG2 3.37Å; K161-V207 PolarHBondContact N-O 3.02Å; K161-V207 PolarHBondContact O-N 3.05Å; K161-W217 HydrophobicContact CD-CH2 4.11Å; K161-W217 HydrophobicContact CD-CZ2 4.14Å; K161-W217 HydrophobicContact CD-CZ3 4.37Å; K161-W217 HydrophobicContact CG-CE3 4.33Å; K161-W217 HydrophobicContact CG-CH2 4.15Å; K161-W217 HydrophobicContact CG-CZ3 3.99Å
162	R	83	Confident	80.8	Confident	170 Å²	170	63 Å²	63	64%	0.642	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	147.7	162.3	178.3	176.4	164.9	161.8	2	109.5	D164 A205 V206	R162-D164 IonicContact CZ-OD1 2.72Å; R162-D164 IonicContact CZ-OD2 2.65Å; R162-D164 IonicContact NE-OD1 2.73Å; R162-D164 PolarHBondContact NE-OD1 3.32Å; R162-D164 VanDerWaalsContact NE-OD1 3.14Å; R162-D164 IonicContact NE-OD2 3.11Å; R162-D164 PolarHBondContact NE-OD2 2.88Å; R162-D164 IonicContact NH2-OD1 2.67Å; R162-D164 PolarHBondContact NH2-OD1 2.55Å; R162-D164 IonicContact NH2-OD2 3.73Å; R162-D164 PolarHBondContact NH2-OD2 3.13Å; R162-A205 CarbonylContact C-O 3.51Å; R162-A205 WeakPolarHBondContact CA-O 3.4Å; R162-V206 HydrophobicContact CB-CG2 4.37Å; R162-V206 HydrophobicContact CG-CG2 4.41Å
163	V	80.4	Confident	80.1	Confident	19 Å²	19	66 Å²	66	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.2	169	-61.5	0	0	0	0	109.2	K161 V166 I182 N204 A205	K161-V163 HydrophobicContact CD-CG1 4.15Å; K161-V163 HydrophobicContact CG-CG1 4.41Å; V163-V166 HydrophobicContact CB-CG1 4Å; V163-V166 HydrophobicContact CG2-CG1 4.08Å; V163-V166 HydrophobicContact CG2-CG2 4.04Å; V163-I182 HydrophobicContact CG1-CD1 4.23Å; V163-I182 HydrophobicContact CG2-CD1 3.87Å; V163-N204 CarbonylContact O-C 3.54Å; V163-N204 WeakPolarHBondContact O-CA 3.1Å; V163-A205 HydrophobicContact CG2-CB 3.77Å; V163-A205 PolarHBondContact N-O 2.79Å; V163-A205 PolarHBondContact O-N 2.97Å; V163-A205 VanDerWaalsContact O-O 3.06Å
164	D	81.3	Confident	79.6	Confident	74 Å²	74	70.5 Å²	70.5	40%	0.396	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.6	-179.2	-70	-78.2	0	0	0	109.9	R162 N204	R162-D164 IonicContact CZ-OD1 2.72Å; R162-D164 IonicContact CZ-OD2 2.65Å; R162-D164 IonicContact NE-OD1 2.73Å; R162-D164 PolarHBondContact NE-OD1 3.32Å; R162-D164 VanDerWaalsContact NE-OD1 3.14Å; R162-D164 IonicContact NE-OD2 3.11Å; R162-D164 PolarHBondContact NE-OD2 2.88Å; R162-D164 IonicContact NH2-OD1 2.67Å; R162-D164 PolarHBondContact NH2-OD1 2.55Å; R162-D164 IonicContact NH2-OD2 3.73Å; R162-D164 PolarHBondContact NH2-OD2 3.13Å; D164-N204 WeakPolarHBondContact CA-OD1 3.31Å; D164-N204 HydrophobicContact CB-CB 4.46Å; D164-N204 WeakPolarHBondContact OD1-CB 3.5Å; D164-N204 PolarHBondContact OD1-ND2 2.85Å; D164-N204 PolarHBondContact OD1-OD1 3.07Å
165	K	80.5	Confident	79.1	Confident	155 Å²	155	71.1 Å²	71.1	67%	0.674	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.5	41.2	178.5	-52.9	175	-173.6	169.8	0	116.3	V202 V203 N204	K165-V202 HydrophobicContact CB-CG1 3.89Å; K165-V202 VanDerWaalsContact O-CG1 3.29Å; K165-V202 WeakPolarHBondContact O-CG1 3.31Å; K165-V203 CarbonylContact C-O 3.58Å; K165-V203 WeakPolarHBondContact CA-O 3.44Å; K165-V203 PolarHBondContact N-O 2.91Å; K165-N204 PolarHBondContact N-OD1 2.92Å
166	V	80.6	Confident	78.5	Confident	12 Å²	12	71.2 Å²	71.2	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.7	173.8	-59.3	0	0	0	0	112.6	V163 L178 E179 V202 V203	V163-V166 HydrophobicContact CB-CG1 4Å; V163-V166 HydrophobicContact CG2-CG1 4.08Å; V163-V166 HydrophobicContact CG2-CG2 4.04Å; V166-L178 HydrophobicContact CB-CB 4.42Å; V166-L178 HydrophobicContact CG2-CB 3.81Å; V166-L178 HydrophobicContact CG2-CD1 3.72Å; V166-L178 HydrophobicContact CG2-CG 4.31Å; V166-E179 VanDerWaalsContact CA-CD 3.44Å; V166-E179 WeakPolarHBondContact CA-OE1 3.33Å; V166-E179 HydrophobicContact CB-CG 3.91Å; V166-E179 WeakPolarHBondContact CB-OE2 3.43Å; V166-E179 WeakPolarHBondContact CG1-OE2 3.3Å; V166-V202 CarbonylContact O-C 3.59Å; V166-V202 WeakPolarHBondContact O-CA 3.11Å; V166-V203 HydrophobicContact CG2-CG2 3.81Å; V166-V203 WeakPolarHBondContact CG2-O 3.33Å; V166-V203 PolarHBondContact N-O 3.46Å; V166-V203 WeakPolarHBondContact O-CG2 3.4Å; V166-V203 PolarHBondContact O-N 2.84Å
167	C	78.8	Confident	77.9	Confident	38 Å²	38	67.3 Å²	67.3	26%	0.257	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.9	-179.8	-165	0	0	0	0	115.4	S169 L178 E179 D201 V202	C167-S169 VanDerWaalsContact C-N 3.33Å; C167-S169 PolarHBondContact O-N 2.69Å; C167-L178 CarbonylContact O-C 3.55Å; C167-L178 WeakPolarHBondContact O-CA 3.28Å; C167-E179 HydrophobicContact CB-CG 4.13Å; C167-E179 VanDerWaalsContact N-CD 3.28Å; C167-E179 PolarHBondContact N-OE1 2.81Å; C167-E179 WeakPolarHBondContact O-CG 3.42Å; C167-E179 PolarHBondContact O-N 2.75Å; C167-D201 CarbonylContact C-O 3Å; C167-V202 HydrophobicContact CB-CG2 4.04Å
168	I	80.4	Confident	77.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	91.2	166.6	-59.4	177	0	0	0	109.1	S170 L178 P197 R198 R199 G200 D201 V203	I168-S170 VanDerWaalsContact C-N 3.34Å; I168-S170 WeakPolarHBondContact CG2-O 3.3Å; I168-S170 PolarHBondContact O-N 3.32Å; I168-L178 HydrophobicContact CB-CD2 4.49Å; I168-L178 HydrophobicContact CG1-CD2 3.63Å; I168-P197 HydrophobicContact CD1-CB 3.56Å; I168-R198 WeakPolarHBondContact CB-O 3.1Å; I168-R198 WeakPolarHBondContact CD1-O 3.1Å; I168-R199 WeakPolarHBondContact O-CA 3.23Å; I168-G200 PolarHBondContact O-N 2.93Å; I168-D201 HydrophobicContact CD1-CB 4.13Å; I168-D201 WeakPolarHBondContact CG1-O 3.26Å; I168-D201 PolarHBondContact N-O 2.68Å; I168-V203 HydrophobicContact CD1-CG1 3.82Å; I168-V203 HydrophobicContact CG1-CG1 3.95Å; I168-V203 HydrophobicContact CG1-CG2 4.38Å
169	S	66.8	Low	76.8	Confident	18 Å²	18	68.8 Å²	68.8	13%	0.126	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-37.5	178	60.6	0	0	0	0	113.3	C167 V177 E180 R199	C167-S169 VanDerWaalsContact C-N 3.33Å; C167-S169 PolarHBondContact O-N 2.69Å; S169-V177 PolarHBondContact N-O 3.27Å; S169-V177 PolarHBondContact OG-O 3.1Å; S169-E180 WeakPolarHBondContact OG-CG 3.09Å; S169-E180 PolarHBondContact OG-N 2.91Å; S169-E180 VanDerWaalsContact OG-N 3.08Å; S169-R199 WeakPolarHBondContact O-CG 3.38Å; S169-R199 PolarHBondContact O-NE 3.46Å
170	S	65.8	Low	76.5	Confident	41 Å²	41	71.4 Å²	71.4	29%	0.287	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	157.6	179.9	65.5	0	0	0	0	112.3	I168 V177	I168-S170 VanDerWaalsContact C-N 3.34Å; I168-S170 WeakPolarHBondContact CG2-O 3.3Å; I168-S170 PolarHBondContact O-N 3.32Å; S170-V177 PolarHBondContact N-O 2.9Å; S170-V177 PolarHBondContact O-N 3.12Å; S170-V177 WeakPolarHBondContact OG-CB 3.13Å; S170-V177 WeakPolarHBondContact OG-CG2 3.48Å
171	L	69.2	Low	75.8	Confident	71 Å²	71	65.9 Å²	65.9	37%	0.372	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	129.1	174.3	-172.9	77.5	0	0	0	107.6	F184 P197	L171-F184 HydrophobicContact CD1-CE2 3.99Å; L171-F184 HydrophobicContact CD1-CZ 3.78Å; L171-P197 HydrophobicContact CD1-CB 4.42Å; L171-P197 VanDerWaalsContact CD2-O 3.3Å; L171-P197 WeakPolarHBondContact CD2-O 3.41Å
172	C	65	Low	76.1	Confident	104 Å²	104	62.3 Å²	62.3	70%	0.703	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	103	-176.5	-166.8	0	0	0	0	110.1	R174 N175	C172-R174 PolarHBondContact O-N 3.22Å; C172-N175 CarbonylContact C-O 3.6Å; C172-N175 PolarHBondContact N-O 3.38Å; C172-N175 PolarHBondContact O-N 3.09Å; C172-N175 VanDerWaalsContact O-N 3.09Å; C172-N175 VanDerWaalsContact O-O 3.09Å
173	G	72.7	Confident	76.2	Confident	71 Å²	71	55.5 Å²	55.5	73%	0.732	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-126.3	-174.4	0	0	0	0	0	111.8
174	R	77.7	Confident	76.7	Confident	161 Å²	161	54.6 Å²	54.6	61%	0.608	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.7	174.1	-70.8	-164.5	175.7	-167.4	-1.7	114.4	C172 L186 D187	C172-R174 PolarHBondContact O-N 3.22Å; R174-L186 HydrophobicContact CB-CB 4.33Å; R174-L186 HydrophobicContact CB-CD1 4.44Å; R174-L186 HydrophobicContact CG-CD1 4.43Å; R174-L186 WeakPolarHBondContact O-CG 3.47Å; R174-L186 PolarHBondContact O-N 2.87Å; R174-D187 VanDerWaalsContact CD-OD1 3.31Å; R174-D187 WeakPolarHBondContact CD-OD1 3.41Å; R174-D187 IonicContact CZ-OD1 2.67Å; R174-D187 IonicContact NE-OD1 3.95Å; R174-D187 IonicContact NH1-OD1 2.76Å; R174-D187 PolarHBondContact NH1-OD1 2.82Å
175	N	79.3	Confident	76.8	Confident	65 Å²	65	52.4 Å²	52.4	35%	0.348	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	149.3	178.6	-66.3	-18.2	0	0	0	110.6	C172 F183 F184 T185	C172-N175 CarbonylContact C-O 3.6Å; C172-N175 PolarHBondContact N-O 3.38Å; C172-N175 PolarHBondContact O-N 3.09Å; C172-N175 VanDerWaalsContact O-N 3.09Å; C172-N175 VanDerWaalsContact O-O 3.09Å; N175-F183 HydrophobicContact CB-CE2 3.89Å; N175-F183 HydrophobicContact CB-CZ 4.09Å; N175-F184 CarbonylContact C-O 3.57Å; N175-F184 VanDerWaalsContact CA-O 3.3Å; N175-F184 WeakPolarHBondContact CA-O 3.01Å; N175-T185 WeakPolarHBondContact OD1-CB 3.3Å; N175-T185 WeakPolarHBondContact OD1-CG2 3.22Å; N175-T185 PolarHBondContact OD1-OG1 2.65Å
176	G	81.4	Confident	76.8	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	172.7	175.1	0	0	0	0	0	112.6	F184	G176-F184 PolarHBondContact N-O 3.49Å; G176-F184 VanDerWaalsContact O-CD1 3.23Å; G176-F184 WeakPolarHBondContact O-CD1 3.44Å; G176-F184 PolarHBondContact O-N 2.88Å
177	V	75.7	Confident	76.8	Confident	6 Å²	6	52.1 Å²	52.1	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	125.1	-173.4	-165.8	0	0	0	0	111.4	S169 S170 I182 Y215	S169-V177 PolarHBondContact N-O 3.27Å; S169-V177 PolarHBondContact OG-O 3.1Å; S170-V177 PolarHBondContact N-O 2.9Å; S170-V177 PolarHBondContact O-N 3.12Å; S170-V177 WeakPolarHBondContact OG-CB 3.13Å; S170-V177 WeakPolarHBondContact OG-CG2 3.48Å; V177-I182 CarbonylContact C-O 3.55Å; V177-I182 VanDerWaalsContact CA-O 3.27Å; V177-I182 WeakPolarHBondContact CA-O 3.04Å; V177-I182 WeakPolarHBondContact CG1-O 3.38Å; V177-Y215 HydrophobicContact CB-CE1 4.44Å; V177-Y215 HydrophobicContact CG1-CD1 3.93Å; V177-Y215 HydrophobicContact CG1-CE1 3.58Å; V177-Y215 HydrophobicContact CG2-CE1 3.96Å; V177-Y215 HydrophobicContact CG2-CE2 3.97Å
178	L	79.6	Confident	76.9	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.3	168.4	-36.9	177.4	0	0	0	108.5	V166 C167 I168 E180 S181 I182 F184 V203 A205 M222	V166-L178 HydrophobicContact CB-CB 4.42Å; V166-L178 HydrophobicContact CG2-CB 3.81Å; V166-L178 HydrophobicContact CG2-CD1 3.72Å; V166-L178 HydrophobicContact CG2-CG 4.31Å; C167-L178 CarbonylContact O-C 3.55Å; C167-L178 WeakPolarHBondContact O-CA 3.28Å; I168-L178 HydrophobicContact CB-CD2 4.49Å; I168-L178 HydrophobicContact CG1-CD2 3.63Å; L178-E180 PolarHBondContact O-N 3.34Å; L178-E180 VanDerWaalsContact O-N 3.07Å; L178-S181 PolarHBondContact O-N 2.99Å; L178-S181 VanDerWaalsContact O-N 3.1Å; L178-S181 PolarHBondContact O-OG 3.5Å; L178-I182 HydrophobicContact CB-CB 4.05Å; L178-I182 HydrophobicContact CB-CD1 4.35Å; L178-I182 HydrophobicContact CD1-CG2 4.17Å; L178-I182 HydrophobicContact CG-CB 4.37Å; L178-I182 HydrophobicContact CG-CG2 4.36Å; L178-I182 PolarHBondContact N-O 2.95Å; L178-I182 PolarHBondContact O-N 3.19Å; L178-F184 HydrophobicContact CD2-CD1 4.1Å; L178-F184 HydrophobicContact CD2-CE1 3.69Å; L178-F184 HydrophobicContact CG-CD1 4.24Å; L178-F184 HydrophobicContact CG-CE1 4.31Å; L178-V203 HydrophobicContact CD1-CG2 3.84Å; L178-V203 HydrophobicContact CD2-CG2 3.62Å; L178-V203 HydrophobicContact CG-CG2 4.29Å; L178-A205 HydrophobicContact CD1-CB 3.73Å; L178-M222 HydrophobicContact CD1-CE 4.09Å; L178-M222 HydrophobicContact CD2-CE 3.92Å; L178-M222 HydrophobicContact CG-CE 4.34Å
179	E	69.8	Low	77.1	Confident	95 Å²	95	52.7 Å²	52.7	44%	0.444	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.2	47.5	177.4	-61.5	-172.1	155	0	0	113.9	V166 C167 S181	V166-E179 VanDerWaalsContact CA-CD 3.44Å; V166-E179 WeakPolarHBondContact CA-OE1 3.33Å; V166-E179 HydrophobicContact CB-CG 3.91Å; V166-E179 WeakPolarHBondContact CB-OE2 3.43Å; V166-E179 WeakPolarHBondContact CG1-OE2 3.3Å; C167-E179 HydrophobicContact CB-CG 4.13Å; C167-E179 VanDerWaalsContact N-CD 3.28Å; C167-E179 PolarHBondContact N-OE1 2.81Å; C167-E179 WeakPolarHBondContact O-CG 3.42Å; C167-E179 PolarHBondContact O-N 2.75Å; E179-S181 WeakPolarHBondContact O-CB 3.48Å; E179-S181 PolarHBondContact O-N 3Å; E179-S181 PolarHBondContact O-OG 3.16Å
180	E	71.8	Confident	78	Confident	147 Å²	147	57.6 Å²	57.6	69%	0.687	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	11.9	176.8	-56	-168.7	179.5	0	0	115.4	S169 L178 Y215	S169-E180 WeakPolarHBondContact OG-CG 3.09Å; S169-E180 PolarHBondContact OG-N 2.91Å; S169-E180 VanDerWaalsContact OG-N 3.08Å; L178-E180 PolarHBondContact O-N 3.34Å; L178-E180 VanDerWaalsContact O-N 3.07Å; E180-Y215 WeakPolarHBondContact O-CE1 3.1Å
181	S	73	Confident	79	Confident	55 Å²	55	58.3 Å²	58.3	39%	0.385	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-27.8	-166.4	56.9	0	0	0	0	115	L178 E179	L178-S181 PolarHBondContact O-N 2.99Å; L178-S181 VanDerWaalsContact O-N 3.1Å; L178-S181 PolarHBondContact O-OG 3.5Å; E179-S181 WeakPolarHBondContact O-CB 3.48Å; E179-S181 PolarHBondContact O-N 3Å; E179-S181 PolarHBondContact O-OG 3.16Å
182	I	84.7	Confident	79.6	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.1	178.6	-59.8	161.8	0	0	0	109.1	V163 V177 L178 V207 W217 A219	V163-I182 HydrophobicContact CG1-CD1 4.23Å; V163-I182 HydrophobicContact CG2-CD1 3.87Å; V177-I182 CarbonylContact C-O 3.55Å; V177-I182 VanDerWaalsContact CA-O 3.27Å; V177-I182 WeakPolarHBondContact CA-O 3.04Å; V177-I182 WeakPolarHBondContact CG1-O 3.38Å; L178-I182 HydrophobicContact CB-CB 4.05Å; L178-I182 HydrophobicContact CB-CD1 4.35Å; L178-I182 HydrophobicContact CD1-CG2 4.17Å; L178-I182 HydrophobicContact CG-CB 4.37Å; L178-I182 HydrophobicContact CG-CG2 4.36Å; L178-I182 PolarHBondContact N-O 2.95Å; L178-I182 PolarHBondContact O-N 3.19Å; I182-V207 HydrophobicContact CD1-CG1 4.16Å; I182-V207 HydrophobicContact CG1-CG1 4.32Å; I182-V207 HydrophobicContact CG2-CB 4.47Å; I182-V207 HydrophobicContact CG2-CG1 3.47Å; I182-V207 VanDerWaalsContact CG2-CG1 3.47Å; I182-W217 CarbonylContact C-O 3.57Å; I182-W217 WeakPolarHBondContact CA-O 3.47Å; I182-W217 HydrophobicContact CB-CB 4.36Å; I182-W217 HydrophobicContact CG1-CB 3.92Å; I182-W217 HydrophobicContact CG2-CB 4.37Å; I182-A219 HydrophobicContact CG2-CB 3.96Å
183	F	85.9	Confident	80	Confident	26 Å²	26	60.8 Å²	60.8	11%	0.114	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	147.4	174	-178.1	-103.4	0	0	0	111.8	N175 T185 Q212 Y215 W217 R218 A219	N175-F183 HydrophobicContact CB-CE2 3.89Å; N175-F183 HydrophobicContact CB-CZ 4.09Å; F183-T185 WeakPolarHBondContact CE1-OG1 3.38Å; F183-T185 VanDerWaalsContact CZ-OG1 3.26Å; F183-T185 WeakPolarHBondContact CZ-OG1 3.23Å; F183-Q212 HydrophobicContact CB-CB 4.07Å; F183-Q212 HydrophobicContact CD1-CB 3.69Å; F183-Q212 HydrophobicContact CD1-CG 3.74Å; F183-Q212 HydrophobicContact CE1-CB 4.24Å; F183-Q212 HydrophobicContact CE1-CG 4.29Å; F183-Q212 HydrophobicContact CG-CB 3.92Å; F183-Q212 HydrophobicContact CG-CG 4.41Å; F183-Y215 HydrophobicContact CB-CD2 3.69Å; F183-Y215 HydrophobicContact CB-CG 3.79Å; F183-Y215 AromaticContact CD2-CD2 3.56Å; F183-Y215 HydrophobicContact CD2-CD2 3.56Å; F183-Y215 AromaticContact CD2-CE2 3.88Å; F183-Y215 HydrophobicContact CD2-CE2 3.88Å; F183-Y215 HydrophobicContact CD2-CG 4.48Å; F183-Y215 AromaticContact CG-CD2 3.97Å; F183-Y215 HydrophobicContact CG-CD2 3.97Å; F183-W217 PolarHBondContact N-O 3.36Å; F183-R218 CarbonylContact O-C 3.49Å; F183-R218 WeakPolarHBondContact O-CA 3.42Å; F183-A219 PolarHBondContact O-N 3.44Å
184	F	89.8	Confident	80.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.5	163.9	66.5	-91.9	0	0	0	111.5	L171 N175 G176 L178 L186 L189 P197 A219 M222	L171-F184 HydrophobicContact CD1-CE2 3.99Å; L171-F184 HydrophobicContact CD1-CZ 3.78Å; N175-F184 CarbonylContact C-O 3.57Å; N175-F184 VanDerWaalsContact CA-O 3.3Å; N175-F184 WeakPolarHBondContact CA-O 3.01Å; G176-F184 PolarHBondContact N-O 3.49Å; G176-F184 VanDerWaalsContact O-CD1 3.23Å; G176-F184 WeakPolarHBondContact O-CD1 3.44Å; G176-F184 PolarHBondContact O-N 2.88Å; L178-F184 HydrophobicContact CD2-CD1 4.1Å; L178-F184 HydrophobicContact CD2-CE1 3.69Å; L178-F184 HydrophobicContact CG-CD1 4.24Å; L178-F184 HydrophobicContact CG-CE1 4.31Å; F184-L186 HydrophobicContact CD2-CD2 4.27Å; F184-L186 HydrophobicContact CE2-CD2 4.05Å; F184-L189 HydrophobicContact CB-CD1 4.21Å; F184-L189 HydrophobicContact CB-CD2 4.22Å; F184-L189 HydrophobicContact CD2-CD2 3.72Å; F184-L189 HydrophobicContact CE2-CD2 4.34Å; F184-L189 HydrophobicContact CG-CD2 4.18Å; F184-P197 HydrophobicContact CE2-CB 4.29Å; F184-P197 HydrophobicContact CE2-CG 4.23Å; F184-P197 HydrophobicContact CZ-CB 3.97Å; F184-P197 HydrophobicContact CZ-CG 4.32Å; F184-A219 HydrophobicContact CB-CB 4.02Å; F184-M222 HydrophobicContact CB-CE 4.22Å; F184-M222 HydrophobicContact CD1-CE 3.5Å; F184-M222 VanDerWaalsContact CD1-CE 3.5Å; F184-M222 HydrophobicContact CD2-CE 4.02Å; F184-M222 HydrophobicContact CE1-CE 3.67Å; F184-M222 HydrophobicContact CE2-CE 4.17Å; F184-M222 HydrophobicContact CG-CE 3.66Å; F184-M222 HydrophobicContact CZ-CE 3.98Å
185	T	83.4	Confident	80.3	Confident	29 Å²	29	55.4 Å²	55.4	18%	0.178	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.3	166.4	-67.5	0	0	0	0	107.3	N175 F183 D187 S188 L189	N175-T185 WeakPolarHBondContact OD1-CB 3.3Å; N175-T185 WeakPolarHBondContact OD1-CG2 3.22Å; N175-T185 PolarHBondContact OD1-OG1 2.65Å; F183-T185 WeakPolarHBondContact CE1-OG1 3.38Å; F183-T185 VanDerWaalsContact CZ-OG1 3.26Å; F183-T185 WeakPolarHBondContact CZ-OG1 3.23Å; T185-D187 HydrophobicContact CG2-CB 3.88Å; T185-D187 WeakPolarHBondContact CG2-OD2 3.5Å; T185-D187 PolarHBondContact O-N 3.24Å; T185-D187 VanDerWaalsContact O-N 3.1Å; T185-S188 PolarHBondContact O-N 3.41Å; T185-S188 PolarHBondContact O-OG 3.38Å; T185-L189 VanDerWaalsContact O-CB 3.3Å; T185-L189 WeakPolarHBondContact O-CB 3.42Å; T185-L189 PolarHBondContact O-N 2.59Å
186	L	81.2	Confident	80.4	Confident	58 Å²	58	56.8 Å²	56.8	30%	0.304	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-57.4	-26.3	-178.2	-68.1	178.6	0	0	0	112.7	R174 F184 S188 L189 L191 P197	R174-L186 HydrophobicContact CB-CB 4.33Å; R174-L186 HydrophobicContact CB-CD1 4.44Å; R174-L186 HydrophobicContact CG-CD1 4.43Å; R174-L186 WeakPolarHBondContact O-CG 3.47Å; R174-L186 PolarHBondContact O-N 2.87Å; F184-L186 HydrophobicContact CD2-CD2 4.27Å; F184-L186 HydrophobicContact CE2-CD2 4.05Å; L186-S188 VanDerWaalsContact C-N 3.29Å; L186-S188 PolarHBondContact O-N 2.98Å; L186-L189 HydrophobicContact CD2-CD2 4.08Å; L186-L191 HydrophobicContact CD2-CD1 3.75Å; L186-P197 HydrophobicContact CD2-CG 4.38Å
187	D	80.1	Confident	80.4	Confident	103 Å²	103	56.8 Å²	56.8	55%	0.551	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-72.4	-16.4	179.3	-46.1	-68.1	0	0	0	113.9	R174 T185	R174-D187 VanDerWaalsContact CD-OD1 3.31Å; R174-D187 WeakPolarHBondContact CD-OD1 3.41Å; R174-D187 IonicContact CZ-OD1 2.67Å; R174-D187 IonicContact NE-OD1 3.95Å; R174-D187 IonicContact NH1-OD1 2.76Å; R174-D187 PolarHBondContact NH1-OD1 2.82Å; T185-D187 HydrophobicContact CG2-CB 3.88Å; T185-D187 WeakPolarHBondContact CG2-OD2 3.5Å; T185-D187 PolarHBondContact O-N 3.24Å; T185-D187 VanDerWaalsContact O-N 3.1Å
188	S	80.9	Confident	80.4	Confident	36 Å²	36	63.7 Å²	63.7	25%	0.252	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-121	8.2	177.8	77.8	0	0	0	0	113.7	T185 L186	T185-S188 PolarHBondContact O-N 3.41Å; T185-S188 PolarHBondContact O-OG 3.38Å; L186-S188 VanDerWaalsContact C-N 3.29Å; L186-S188 PolarHBondContact O-N 2.98Å
189	L	85.8	Confident	79.9	Confident	13 Å²	13	72.3 Å²	72.3	7%	0.068	38%	0.379	C	S	.	.			trans	-112.4	119.7	-168.6	177.4	79.3	0	0	0	110.6	F184 T185 L186 L191 A219 M222	F184-L189 HydrophobicContact CB-CD1 4.21Å; F184-L189 HydrophobicContact CB-CD2 4.22Å; F184-L189 HydrophobicContact CD2-CD2 3.72Å; F184-L189 HydrophobicContact CE2-CD2 4.34Å; F184-L189 HydrophobicContact CG-CD2 4.18Å; T185-L189 VanDerWaalsContact O-CB 3.3Å; T185-L189 WeakPolarHBondContact O-CB 3.42Å; T185-L189 PolarHBondContact O-N 2.59Å; L186-L189 HydrophobicContact CD2-CD2 4.08Å; L189-L191 HydrophobicContact CD2-CD1 4.18Å; L189-L191 HydrophobicContact CD2-CD2 3.74Å; L189-L191 HydrophobicContact CD2-CG 3.8Å; L189-L191 HydrophobicContact CG-CD2 4.32Å; L189-L191 HydrophobicContact CG-CG 4.17Å; L189-L191 PolarHBondContact O-N 2.96Å; L189-A219 HydrophobicContact CD1-CB 3.78Å; L189-M222 HydrophobicContact CD1-CE 4.14Å; L189-M222 HydrophobicContact CD2-CE 3.7Å; L189-M222 HydrophobicContact CD2-CG 4.12Å; L189-M222 HydrophobicContact CD2-SD 4.1Å
190	K	85	Confident	80	Confident	122 Å²	122	69.1 Å²	69.1	53%	0.53	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-80	103.4	178.5	-62.4	176.1	-177.5	175.6	0	109.3	E130 L220 C221	E130-K190 IonicContact OE1-NZ 3.72Å; E130-K190 PolarHBondContact OE1-NZ 3.14Å; K190-L220 WeakPolarHBondContact CB-O 3.24Å; K190-L220 PolarHBondContact N-O 3.05Å; K190-C221 HydrophobicContact CB-CB 4.18Å; K190-C221 WeakPolarHBondContact O-CA 3.4Å; K190-C221 WeakPolarHBondContact O-CB 3.49Å
191	L	86.4	Confident	80.5	Confident	56 Å²	56	62.5 Å²	62.5	29%	0.293	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-97.9	151.1	-179.9	-76.2	173.7	0	0	0	112.2	L186 L189 Y195 P197 M222	L186-L191 HydrophobicContact CD2-CD1 3.75Å; L189-L191 HydrophobicContact CD2-CD1 4.18Å; L189-L191 HydrophobicContact CD2-CD2 3.74Å; L189-L191 HydrophobicContact CD2-CG 3.8Å; L189-L191 HydrophobicContact CG-CD2 4.32Å; L189-L191 HydrophobicContact CG-CG 4.17Å; L189-L191 PolarHBondContact O-N 2.96Å; L191-Y195 HydrophobicContact CD2-CD1 3.96Å; L191-Y195 HydrophobicContact CD2-CE1 4.41Å; L191-P197 HydrophobicContact CD1-CG 4.41Å; L191-P197 HydrophobicContact CD2-CG 4.28Å; L191-M222 HydrophobicContact CD2-CG 3.32Å; L191-M222 HydrophobicContact CD2-SD 3.99Å
192	P	82.6	Confident	80.9	Confident	55 Å²	55	61.4 Å²	61.4	36%	0.357	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65.3	145.3	164.7	-14.5	27.7	0	0	0	111.1	G194 Y195 M222 T223	P192-G194 PolarHBondContact O-N 3.44Å; P192-Y195 PolarHBondContact O-N 2.89Å; P192-Y195 VanDerWaalsContact O-N 3.12Å; P192-M222 WeakPolarHBondContact CD-O 3.26Å; P192-M222 VanDerWaalsContact CG-O 3.31Å; P192-M222 WeakPolarHBondContact CG-O 3.46Å; P192-T223 HydrophobicContact CG-CG2 3.53Å
193	D	72.8	Confident	81.2	Confident	172 Å²	172	61.2 Å²	61.2	92%	0.92	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	129.8	-179.2	-63.6	-53.8	0	0	0	112.5	Y195	D193-Y195 VanDerWaalsContact C-N 3.27Å; D193-Y195 PolarHBondContact O-N 2.87Å
194	G	75.6	Confident	81.2	Confident	85 Å²	85	61.8 Å²	61.8	88%	0.876	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-6.9	178.8	0	0	0	0	0	116.3	P192	P192-G194 PolarHBondContact O-N 3.44Å
195	Y	81.6	Confident	81.2	Confident	33 Å²	33	62 Å²	62	13%	0.129	34%	0.337	C	S	.	.			trans	-79.6	126.9	176.5	179.7	-132.9	0	0	0	112.1	L191 P192 D193 P197 V203 M222 L224	L191-Y195 HydrophobicContact CD2-CD1 3.96Å; L191-Y195 HydrophobicContact CD2-CE1 4.41Å; P192-Y195 PolarHBondContact O-N 2.89Å; P192-Y195 VanDerWaalsContact O-N 3.12Å; D193-Y195 VanDerWaalsContact C-N 3.27Å; D193-Y195 PolarHBondContact O-N 2.87Å; Y195-P197 HydrophobicContact CE1-CG 4.06Å; Y195-V203 VanDerWaalsContact OH-CG1 3.25Å; Y195-V203 WeakPolarHBondContact OH-CG1 3.19Å; Y195-M222 HydrophobicContact CE1-CG 4.3Å; Y195-M222 HydrophobicContact CE1-SD 4.18Å; Y195-L224 HydrophobicContact CD2-CB 4.17Å; Y195-L224 HydrophobicContact CD2-CD2 4.1Å; Y195-L224 HydrophobicContact CE1-CB 4.43Å; Y195-L224 HydrophobicContact CE2-CB 3.74Å; Y195-L224 HydrophobicContact CE2-CD1 3.83Å; Y195-L224 HydrophobicContact CE2-CD2 3.76Å; Y195-L224 HydrophobicContact CE2-CG 3.97Å
196	T	80.8	Confident	81.5	Confident	94 Å²	94	62.8 Å²	62.8	58%	0.577	34%	0.342	S	S	*	.			trans	-118.3	116.7	169.3	-55	0	0	0	0	110.1
197	P	82.3	Confident	82	Confident	2 Å²	2	60 Å²	60	1%	0.013	33%	0.327	C	S	.	.			trans	-54.5	140.7	176.6	-28.7	37.4	0	0	0	113.8	I168 L171 F184 L186 L191 Y195 M222	I168-P197 HydrophobicContact CD1-CB 3.56Å; L171-P197 HydrophobicContact CD1-CB 4.42Å; L171-P197 VanDerWaalsContact CD2-O 3.3Å; L171-P197 WeakPolarHBondContact CD2-O 3.41Å; F184-P197 HydrophobicContact CE2-CB 4.29Å; F184-P197 HydrophobicContact CE2-CG 4.23Å; F184-P197 HydrophobicContact CZ-CB 3.97Å; F184-P197 HydrophobicContact CZ-CG 4.32Å; L186-P197 HydrophobicContact CD2-CG 4.38Å; L191-P197 HydrophobicContact CD1-CG 4.41Å; L191-P197 HydrophobicContact CD2-CG 4.28Å; Y195-P197 HydrophobicContact CE1-CG 4.06Å; P197-M222 HydrophobicContact CB-SD 4.33Å; P197-M222 HydrophobicContact CG-SD 3.69Å
198	R	75.4	Confident	82.4	Confident	152 Å²	152	55.2 Å²	55.2	57%	0.574	30%	0.302	S	S	*	.			trans	-139.3	148.1	173.2	-52.4	-175.7	-177.2	-163.5	4.2	112.5	I168 G200 D201	I168-R198 WeakPolarHBondContact CB-O 3.1Å; I168-R198 WeakPolarHBondContact CD1-O 3.1Å; R198-G200 PolarHBondContact O-N 2.91Å; R198-D201 WeakPolarHBondContact CB-OD2 3.01Å; R198-D201 PolarHBondContact N-OD2 2.87Å; R198-D201 VanDerWaalsContact O-CB 3.31Å; R198-D201 WeakPolarHBondContact O-CB 3.24Å; R198-D201 PolarHBondContact O-N 2.94Å; R198-D201 VanDerWaalsContact O-N 3.16Å
199	R	68.1	Low	82.6	Confident	180 Å²	180	54.5 Å²	54.5	68%	0.679	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	132.9	179.3	-168	-178.4	-169.9	-155.9	0.8	111.6	I168 S169 D201	I168-R199 WeakPolarHBondContact O-CA 3.23Å; S169-R199 WeakPolarHBondContact O-CG 3.38Å; S169-R199 PolarHBondContact O-NE 3.46Å; R199-D201 VanDerWaalsContact C-N 3.34Å
200	G	73.6	Confident	82.5	Confident	28 Å²	28	53.9 Å²	53.9	29%	0.289	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-1.5	-178.7	0	0	0	0	0	114.9	I168 R198 R227	I168-G200 PolarHBondContact O-N 2.93Å; R198-G200 PolarHBondContact O-N 2.91Å; G200-R227 WeakPolarHBondContact O-CG 3.11Å
201	D	81.4	Confident	82.2	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.048	29%	0.288	C	S	.	.			trans	-79	129.6	168.8	-68.7	-19.8	0	0	0	110.6	C167 I168 R198 R199 L224 R227	C167-D201 CarbonylContact C-O 3Å; I168-D201 HydrophobicContact CD1-CB 4.13Å; I168-D201 WeakPolarHBondContact CG1-O 3.26Å; I168-D201 PolarHBondContact N-O 2.68Å; R198-D201 WeakPolarHBondContact CB-OD2 3.01Å; R198-D201 PolarHBondContact N-OD2 2.87Å; R198-D201 VanDerWaalsContact O-CB 3.31Å; R198-D201 WeakPolarHBondContact O-CB 3.24Å; R198-D201 PolarHBondContact O-N 2.94Å; R198-D201 VanDerWaalsContact O-N 3.16Å; R199-D201 VanDerWaalsContact C-N 3.34Å; D201-L224 HydrophobicContact CB-CD1 3.55Å; D201-R227 IonicContact OD1-CZ 2.68Å; D201-R227 IonicContact OD1-NE 2.79Å; D201-R227 PolarHBondContact OD1-NE 3.04Å; D201-R227 IonicContact OD1-NH2 3.63Å; D201-R227 PolarHBondContact OD1-NH2 3.3Å; D201-R227 IonicContact OD2-NH2 3.14Å
202	V	82.1	Confident	81.4	Confident	32 Å²	32	50.3 Å²	50.3	19%	0.194	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	146.1	164.6	173.3	0	0	0	0	110.8	K165 V166 C167 L224 V225 K226	K165-V202 HydrophobicContact CB-CG1 3.89Å; K165-V202 VanDerWaalsContact O-CG1 3.29Å; K165-V202 WeakPolarHBondContact O-CG1 3.31Å; V166-V202 CarbonylContact O-C 3.59Å; V166-V202 WeakPolarHBondContact O-CA 3.11Å; C167-V202 HydrophobicContact CB-CG2 4.04Å; V202-L224 CarbonylContact O-C 3.55Å; V202-V225 HydrophobicContact CB-CB 3.75Å; V202-V225 HydrophobicContact CB-CG1 4.26Å; V202-V225 HydrophobicContact CG1-CB 3.79Å; V202-V225 HydrophobicContact CG1-CG1 4.2Å; V202-V225 HydrophobicContact CG1-CG2 4.07Å; V202-V225 VanDerWaalsContact O-CA 3.29Å; V202-V225 WeakPolarHBondContact O-CA 3.17Å; V202-V225 WeakPolarHBondContact O-CB 3.06Å; V202-V225 PolarHBondContact O-N 2.88Å; V202-K226 PolarHBondContact N-O 3.01Å
203	V	89.5	Confident	80.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	166.2	-175.4	-55.6	0	0	0	0	113.8	K165 V166 I168 L178 Y195 T223	K165-V203 CarbonylContact C-O 3.58Å; K165-V203 WeakPolarHBondContact CA-O 3.44Å; K165-V203 PolarHBondContact N-O 2.91Å; V166-V203 HydrophobicContact CG2-CG2 3.81Å; V166-V203 WeakPolarHBondContact CG2-O 3.33Å; V166-V203 PolarHBondContact N-O 3.46Å; V166-V203 WeakPolarHBondContact O-CG2 3.4Å; V166-V203 PolarHBondContact O-N 2.84Å; I168-V203 HydrophobicContact CD1-CG1 3.82Å; I168-V203 HydrophobicContact CG1-CG1 3.95Å; I168-V203 HydrophobicContact CG1-CG2 4.38Å; L178-V203 HydrophobicContact CD1-CG2 3.84Å; L178-V203 HydrophobicContact CD2-CG2 3.62Å; L178-V203 HydrophobicContact CG-CG2 4.29Å; Y195-V203 VanDerWaalsContact OH-CG1 3.25Å; Y195-V203 WeakPolarHBondContact OH-CG1 3.19Å; V203-T223 CarbonylContact C-O 3.55Å; V203-T223 VanDerWaalsContact C-O 3.25Å; V203-T223 WeakPolarHBondContact CA-O 3.3Å; V203-T223 WeakPolarHBondContact CB-O 3.17Å
204	N	87.7	Confident	80	Confident	38 Å²	38	49.9 Å²	49.9	20%	0.203	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	158.8	162.7	-51.7	-26.9	0	0	0	109.7	V163 D164 K165 M222 T223	V163-N204 CarbonylContact O-C 3.54Å; V163-N204 WeakPolarHBondContact O-CA 3.1Å; D164-N204 WeakPolarHBondContact CA-OD1 3.31Å; D164-N204 HydrophobicContact CB-CB 4.46Å; D164-N204 WeakPolarHBondContact OD1-CB 3.5Å; D164-N204 PolarHBondContact OD1-ND2 2.85Å; D164-N204 PolarHBondContact OD1-OD1 3.07Å; K165-N204 PolarHBondContact N-OD1 2.92Å; N204-M222 CarbonylContact O-C 3.58Å; N204-M222 WeakPolarHBondContact O-CA 3.07Å; N204-M222 WeakPolarHBondContact O-CB 3.32Å; N204-T223 PolarHBondContact N-O 3.4Å; N204-T223 PolarHBondContact O-N 2.78Å
205	A	89.6	Confident	79.8	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	163.3	176.8	0	0	0	0	0	114.8	R162 V163 L178 V207 C221 M222	R162-A205 CarbonylContact C-O 3.51Å; R162-A205 WeakPolarHBondContact CA-O 3.4Å; V163-A205 HydrophobicContact CG2-CB 3.77Å; V163-A205 PolarHBondContact N-O 2.79Å; V163-A205 PolarHBondContact O-N 2.97Å; V163-A205 VanDerWaalsContact O-O 3.06Å; L178-A205 HydrophobicContact CD1-CB 3.73Å; A205-V207 HydrophobicContact CB-CG1 4.44Å; A205-C221 CarbonylContact C-O 3.57Å; A205-C221 WeakPolarHBondContact CA-O 3.23Å; A205-C221 WeakPolarHBondContact CB-O 3.4Å; A205-M222 HydrophobicContact CB-CB 3.98Å
206	V	89.2	Confident	79.5	Confident	47 Å²	47	50.8 Å²	50.8	29%	0.285	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.3	163.1	-179.3	0	0	0	0	108.7	R162 A219 L220 C221	R162-V206 HydrophobicContact CB-CG2 4.37Å; R162-V206 HydrophobicContact CG-CG2 4.41Å; V206-A219 CarbonylContact O-C 3.55Å; V206-A219 WeakPolarHBondContact O-CA 3.43Å; V206-L220 PolarHBondContact O-N 3.17Å; V206-C221 PolarHBondContact N-O 3.37Å; V206-C221 VanDerWaalsContact N-O 3.07Å
207	V	90.9	Very high	79.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.9	-170.4	-53.7	0	0	0	0	112.6	Y160 K161 I182 A205 W217 R218 A219	Y160-V207 CarbonylContact C-O 3.51Å; Y160-V207 VanDerWaalsContact CA-O 3.23Å; Y160-V207 WeakPolarHBondContact CA-O 3.35Å; Y160-V207 WeakPolarHBondContact CB-O 3.22Å; K161-V207 HydrophobicContact CD-CG2 4.19Å; K161-V207 HydrophobicContact CG-CG2 3.37Å; K161-V207 PolarHBondContact N-O 3.02Å; K161-V207 PolarHBondContact O-N 3.05Å; I182-V207 HydrophobicContact CD1-CG1 4.16Å; I182-V207 HydrophobicContact CG1-CG1 4.32Å; I182-V207 HydrophobicContact CG2-CB 4.47Å; I182-V207 HydrophobicContact CG2-CG1 3.47Å; I182-V207 VanDerWaalsContact CG2-CG1 3.47Å; A205-V207 HydrophobicContact CB-CG1 4.44Å; V207-W217 HydrophobicContact CB-CB 4.25Å; V207-W217 HydrophobicContact CB-CE3 4.17Å; V207-W217 HydrophobicContact CG2-CB 4.27Å; V207-W217 HydrophobicContact CG2-CD2 3.98Å; V207-W217 HydrophobicContact CG2-CE3 3.48Å; V207-W217 VanDerWaalsContact CG2-CE3 3.48Å; V207-W217 HydrophobicContact CG2-CG 4.32Å; V207-W217 HydrophobicContact CG2-CZ3 4.16Å; V207-R218 CarbonylContact C-O 3.59Å; V207-R218 VanDerWaalsContact CA-O 3.24Å; V207-R218 WeakPolarHBondContact CA-O 3.28Å; V207-A219 HydrophobicContact CG1-CB 4.02Å
208	V	89.5	Confident	80	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.8	171.1	-71.6	0	0	0	0	110.9	F129 P157 S210 W217 R218 L220	F129-V208 HydrophobicContact CD2-CG1 4.34Å; F129-V208 HydrophobicContact CE2-CG1 4.15Å; F129-V208 HydrophobicContact CE2-CG2 4.4Å; P157-V208 HydrophobicContact CB-CG1 4.25Å; V208-S210 PolarHBondContact O-N 2.88Å; V208-W217 VanDerWaalsContact C-CE3 3.48Å; V208-W217 CarbonylContact O-C 3.48Å; V208-W217 WeakPolarHBondContact O-CA 3.43Å; V208-R218 HydrophobicContact CG2-CB 4.17Å; V208-R218 PolarHBondContact N-O 3.05Å; V208-R218 PolarHBondContact O-N 3.09Å; V208-L220 HydrophobicContact CG1-CD1 3.68Å; V208-L220 HydrophobicContact CG1-CG 4.18Å; V208-L220 HydrophobicContact CG2-CD2 4.01Å; V208-L220 HydrophobicContact CG2-CG 4.28Å
209	E	84.8	Confident	80.7	Confident	21 Å²	21	41.6 Å²	41.6	10%	0.098	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	123	175.9	-175.6	165.1	-150.4	0	0	111.1	W136 R159 V216 W217	W136-E209 HydrophobicContact CB-CB 4.49Å; W136-E209 HydrophobicContact CB-CG 4.17Å; W136-E209 HydrophobicContact CG-CG 4.34Å; W136-E209 PolarHBondContact N-O 2.85Å; R159-E209 HydrophobicContact CB-CB 4.27Å; R159-E209 IonicContact CZ-OE1 2.69Å; R159-E209 IonicContact CZ-OE2 2.68Å; R159-E209 VanDerWaalsContact CZ-OE2 3.24Å; R159-E209 IonicContact NE-OE1 2.81Å; R159-E209 IonicContact NE-OE2 2.69Å; R159-E209 PolarHBondContact NE-OE2 2.9Å; R159-E209 VanDerWaalsContact NH2-CD 3.26Å; R159-E209 IonicContact NH2-OE1 2.72Å; R159-E209 PolarHBondContact NH2-OE1 3.42Å; R159-E209 IonicContact NH2-OE2 2.72Å; R159-E209 PolarHBondContact NH2-OE2 3.04Å; R159-E209 PolarHBondContact O-N 2.79Å; E209-V216 WeakPolarHBondContact CA-O 3.45Å; E209-W217 HydrophobicContact CB-CE3 4.37Å; E209-W217 HydrophobicContact CB-CH2 4.43Å; E209-W217 HydrophobicContact CB-CZ3 4.07Å
210	S	84.3	Confident	81.6	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	136.1	-173.9	-169.1	0	0	0	0	112.3	G134 D135 V208 Q212 V216	G134-S210 CarbonylContact O-C 3.57Å; G134-S210 WeakPolarHBondContact O-CA 3.15Å; G134-S210 PolarHBondContact O-OG 3.09Å; D135-S210 WeakPolarHBondContact CA-OG 3.39Å; D135-S210 PolarHBondContact N-OG 2.85Å; D135-S210 VanDerWaalsContact N-OG 3.13Å; D135-S210 WeakPolarHBondContact OD1-CB 3.39Å; D135-S210 PolarHBondContact OD1-OG 3.22Å; V208-S210 PolarHBondContact O-N 2.88Å; S210-Q212 PolarHBondContact O-N 2.79Å; S210-Q212 VanDerWaalsContact O-N 3.14Å; S210-Q212 PolarHBondContact OG-NE2 2.89Å; S210-V216 PolarHBondContact N-O 3.06Å; S210-V216 CarbonylContact O-C 3.56Å; S210-V216 VanDerWaalsContact O-CA 3.22Å; S210-V216 WeakPolarHBondContact O-CA 3.39Å; S210-V216 VanDerWaalsContact O-O 3.14Å
211	S	78.2	Confident	82.2	Confident	66 Å²	66	35.8 Å²	35.8	46%	0.462	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	80.2	176	-170.1	0	0	0	0	110.5	G134 S213	G134-S211 PolarHBondContact O-N 2.87Å; S211-S213 PolarHBondContact O-N 3.12Å
212	Q	69.6	Low	82.6	Confident	37 Å²	37	35.6 Å²	35.6	17%	0.173	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	77.3	176.2	-62.8	-58.2	-31.8	0	0	109.9	K133 F183 S210 C214 Y215 R218	K133-Q212 PolarHBondContact O-NE2 3.05Å; F183-Q212 HydrophobicContact CB-CB 4.07Å; F183-Q212 HydrophobicContact CD1-CB 3.69Å; F183-Q212 HydrophobicContact CD1-CG 3.74Å; F183-Q212 HydrophobicContact CE1-CB 4.24Å; F183-Q212 HydrophobicContact CE1-CG 4.29Å; F183-Q212 HydrophobicContact CG-CB 3.92Å; F183-Q212 HydrophobicContact CG-CG 4.41Å; S210-Q212 PolarHBondContact O-N 2.79Å; S210-Q212 VanDerWaalsContact O-N 3.14Å; S210-Q212 PolarHBondContact OG-NE2 2.89Å; Q212-C214 PolarHBondContact O-N 2.9Å; Q212-Y215 PolarHBondContact N-O 3.34Å; Q212-Y215 WeakPolarHBondContact O-CD2 3.44Å; Q212-Y215 PolarHBondContact O-N 3.46Å; Q212-R218 HydrophobicContact CG-CB 4.27Å
213	S	63.9	Low	82.8	Confident	122 Å²	122	37.2 Å²	37.2	85%	0.853	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	-93.6	-171.9	-56.7	0	0	0	0	113.2	S211	S211-S213 PolarHBondContact O-N 3.12Å
214	C	61.8	Low	82.6	Confident	96 Å²	96	41.6 Å²	41.6	65%	0.649	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-7	178.7	49.8	0	0	0	0	113.9	Q212	Q212-C214 PolarHBondContact O-N 2.9Å
215	Y	70.8	Confident	82.2	Confident	61 Å²	61	43.5 Å²	43.5	24%	0.239	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.1	-180	-50.7	-67.6	0	0	0	111	V177 E180 F183 Q212	V177-Y215 HydrophobicContact CB-CE1 4.44Å; V177-Y215 HydrophobicContact CG1-CD1 3.93Å; V177-Y215 HydrophobicContact CG1-CE1 3.58Å; V177-Y215 HydrophobicContact CG2-CE1 3.96Å; V177-Y215 HydrophobicContact CG2-CE2 3.97Å; E180-Y215 WeakPolarHBondContact O-CE1 3.1Å; F183-Y215 HydrophobicContact CB-CD2 3.69Å; F183-Y215 HydrophobicContact CB-CG 3.79Å; F183-Y215 AromaticContact CD2-CD2 3.56Å; F183-Y215 HydrophobicContact CD2-CD2 3.56Å; F183-Y215 AromaticContact CD2-CE2 3.88Å; F183-Y215 HydrophobicContact CD2-CE2 3.88Å; F183-Y215 HydrophobicContact CD2-CG 4.48Å; F183-Y215 AromaticContact CG-CD2 3.97Å; F183-Y215 HydrophobicContact CG-CD2 3.97Å; Q212-Y215 PolarHBondContact N-O 3.34Å; Q212-Y215 WeakPolarHBondContact O-CD2 3.44Å; Q212-Y215 PolarHBondContact O-N 3.46Å
216	V	75.4	Confident	80.2	Confident	75 Å²	75	51 Å²	51	46%	0.455	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-10.2	-173.6	-168.9	0	0	0	0	112.3	E209 S210	E209-V216 WeakPolarHBondContact CA-O 3.45Å; S210-V216 PolarHBondContact N-O 3.06Å; S210-V216 CarbonylContact O-C 3.56Å; S210-V216 VanDerWaalsContact O-CA 3.22Å; S210-V216 WeakPolarHBondContact O-CA 3.39Å; S210-V216 VanDerWaalsContact O-O 3.14Å
217	W	84.8	Confident	77.6	Confident	49 Å²	49	56 Å²	56	19%	0.186	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.1	177.3	-65.7	98.7	0	0	0	110.1	R159 K161 I182 F183 V207 V208 E209	R159-W217 HydrophobicContact CB-CH2 4.21Å; K161-W217 HydrophobicContact CD-CH2 4.11Å; K161-W217 HydrophobicContact CD-CZ2 4.14Å; K161-W217 HydrophobicContact CD-CZ3 4.37Å; K161-W217 HydrophobicContact CG-CE3 4.33Å; K161-W217 HydrophobicContact CG-CH2 4.15Å; K161-W217 HydrophobicContact CG-CZ3 3.99Å; I182-W217 CarbonylContact C-O 3.57Å; I182-W217 WeakPolarHBondContact CA-O 3.47Å; I182-W217 HydrophobicContact CB-CB 4.36Å; I182-W217 HydrophobicContact CG1-CB 3.92Å; I182-W217 HydrophobicContact CG2-CB 4.37Å; F183-W217 PolarHBondContact N-O 3.36Å; V207-W217 HydrophobicContact CB-CB 4.25Å; V207-W217 HydrophobicContact CB-CE3 4.17Å; V207-W217 HydrophobicContact CG2-CB 4.27Å; V207-W217 HydrophobicContact CG2-CD2 3.98Å; V207-W217 HydrophobicContact CG2-CE3 3.48Å; V207-W217 VanDerWaalsContact CG2-CE3 3.48Å; V207-W217 HydrophobicContact CG2-CG 4.32Å; V207-W217 HydrophobicContact CG2-CZ3 4.16Å; V208-W217 VanDerWaalsContact C-CE3 3.48Å; V208-W217 CarbonylContact O-C 3.48Å; V208-W217 WeakPolarHBondContact O-CA 3.43Å; E209-W217 HydrophobicContact CB-CE3 4.37Å; E209-W217 HydrophobicContact CB-CH2 4.43Å; E209-W217 HydrophobicContact CB-CZ3 4.07Å
218	R	89.6	Confident	74.7	Confident	7 Å²	7	67.6 Å²	67.6	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.3	171.5	179.3	176	73.6	90	-5.9	109.2	E130 D135 F183 V207 V208 Q212	E130-R218 PolarHBondContact O-NH2 3.07Å; D135-R218 IonicContact OD1-CZ 3.72Å; D135-R218 IonicContact OD1-NE 3.71Å; D135-R218 PolarHBondContact OD1-NE 2.95Å; D135-R218 IonicContact OD1-NH2 3.4Å; D135-R218 IonicContact OD2-CZ 2.69Å; D135-R218 IonicContact OD2-NE 2.86Å; D135-R218 PolarHBondContact OD2-NE 2.83Å; D135-R218 IonicContact OD2-NH2 3.28Å; D135-R218 PolarHBondContact OD2-NH2 2.79Å; F183-R218 CarbonylContact O-C 3.49Å; F183-R218 WeakPolarHBondContact O-CA 3.42Å; V207-R218 CarbonylContact C-O 3.59Å; V207-R218 VanDerWaalsContact CA-O 3.24Å; V207-R218 WeakPolarHBondContact CA-O 3.28Å; V208-R218 HydrophobicContact CG2-CB 4.17Å; V208-R218 PolarHBondContact N-O 3.05Å; V208-R218 PolarHBondContact O-N 3.09Å; Q212-R218 HydrophobicContact CG-CB 4.27Å
219	A	89.2	Confident	71.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.6	176.7	0	0	0	0	0	112.6	I182 F183 F184 L189 V206 V207	I182-A219 HydrophobicContact CG2-CB 3.96Å; F183-A219 PolarHBondContact O-N 3.44Å; F184-A219 HydrophobicContact CB-CB 4.02Å; L189-A219 HydrophobicContact CD1-CB 3.78Å; V206-A219 CarbonylContact O-C 3.55Å; V206-A219 WeakPolarHBondContact O-CA 3.43Å; V207-A219 HydrophobicContact CG1-CB 4.02Å
220	L	87.5	Confident	69.2	Low	41 Å²	41	79.8 Å²	79.8	22%	0.215	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-29.8	173.2	-59.5	-175.9	0	0	0	112.4	K190 V206 V208	K190-L220 WeakPolarHBondContact CB-O 3.24Å; K190-L220 PolarHBondContact N-O 3.05Å; V206-L220 PolarHBondContact O-N 3.17Å; V208-L220 HydrophobicContact CG1-CD1 3.68Å; V208-L220 HydrophobicContact CG1-CG 4.18Å; V208-L220 HydrophobicContact CG2-CD2 4.01Å; V208-L220 HydrophobicContact CG2-CG 4.28Å
221	C	87.3	Confident	66.5	Low	45 Å²	45	84.9 Å²	84.9	30%	0.304	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	164.1	175.2	66.2	0	0	0	0	113.6	K190 A205 V206	K190-C221 HydrophobicContact CB-CB 4.18Å; K190-C221 WeakPolarHBondContact O-CA 3.4Å; K190-C221 WeakPolarHBondContact O-CB 3.49Å; A205-C221 CarbonylContact C-O 3.57Å; A205-C221 WeakPolarHBondContact CA-O 3.23Å; A205-C221 WeakPolarHBondContact CB-O 3.4Å; V206-C221 PolarHBondContact N-O 3.37Å; V206-C221 VanDerWaalsContact N-O 3.07Å
222	M	89	Confident	64.6	Low	5 Å²	5	87.8 Å²	87.8	3%	0.025	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	169.6	178.7	65.3	169.1	65.6	0	0	118.2	L178 F184 L189 L191 P192 Y195 P197 N204 A205	L178-M222 HydrophobicContact CD1-CE 4.09Å; L178-M222 HydrophobicContact CD2-CE 3.92Å; L178-M222 HydrophobicContact CG-CE 4.34Å; F184-M222 HydrophobicContact CB-CE 4.22Å; F184-M222 HydrophobicContact CD1-CE 3.5Å; F184-M222 VanDerWaalsContact CD1-CE 3.5Å; F184-M222 HydrophobicContact CD2-CE 4.02Å; F184-M222 HydrophobicContact CE1-CE 3.67Å; F184-M222 HydrophobicContact CE2-CE 4.17Å; F184-M222 HydrophobicContact CG-CE 3.66Å; F184-M222 HydrophobicContact CZ-CE 3.98Å; L189-M222 HydrophobicContact CD1-CE 4.14Å; L189-M222 HydrophobicContact CD2-CE 3.7Å; L189-M222 HydrophobicContact CD2-CG 4.12Å; L189-M222 HydrophobicContact CD2-SD 4.1Å; L191-M222 HydrophobicContact CD2-CG 3.32Å; L191-M222 HydrophobicContact CD2-SD 3.99Å; P192-M222 WeakPolarHBondContact CD-O 3.26Å; P192-M222 VanDerWaalsContact CG-O 3.31Å; P192-M222 WeakPolarHBondContact CG-O 3.46Å; Y195-M222 HydrophobicContact CE1-CG 4.3Å; Y195-M222 HydrophobicContact CE1-SD 4.18Å; P197-M222 HydrophobicContact CB-SD 4.33Å; P197-M222 HydrophobicContact CG-SD 3.69Å; N204-M222 CarbonylContact O-C 3.58Å; N204-M222 WeakPolarHBondContact O-CA 3.07Å; N204-M222 WeakPolarHBondContact O-CB 3.32Å; A205-M222 HydrophobicContact CB-CB 3.98Å
223	T	86	Confident	62.7	Low	66 Å²	66	91 Å²	91	41%	0.405	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	151.6	-176.4	19.2	0	0	0	0	115.1	P192 V203 N204	P192-T223 HydrophobicContact CG-CG2 3.53Å; V203-T223 CarbonylContact C-O 3.55Å; V203-T223 VanDerWaalsContact C-O 3.25Å; V203-T223 WeakPolarHBondContact CA-O 3.3Å; V203-T223 WeakPolarHBondContact CB-O 3.17Å; N204-T223 PolarHBondContact N-O 3.4Å; N204-T223 PolarHBondContact O-N 2.78Å
224	L	85	Confident	61	Low	92 Å²	92	93.3 Å²	93.3	48%	0.482	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	157.2	-158	178	63.9	0	0	0	122.2	Y195 D201 V202	Y195-L224 HydrophobicContact CD2-CB 4.17Å; Y195-L224 HydrophobicContact CD2-CD2 4.1Å; Y195-L224 HydrophobicContact CE1-CB 4.43Å; Y195-L224 HydrophobicContact CE2-CB 3.74Å; Y195-L224 HydrophobicContact CE2-CD1 3.83Å; Y195-L224 HydrophobicContact CE2-CD2 3.76Å; Y195-L224 HydrophobicContact CE2-CG 3.97Å; D201-L224 HydrophobicContact CB-CD1 3.55Å; V202-L224 CarbonylContact O-C 3.55Å
225	V	79.5	Confident	59.6	Low	78 Å²	78	95.9 Å²	95.9	47%	0.473	51%	0.506	S	S	.	.			trans	-145.5	-103.5	177.7	-165.4	0	0	0	0	119.7	V202	V202-V225 HydrophobicContact CB-CB 3.75Å; V202-V225 HydrophobicContact CB-CG1 4.26Å; V202-V225 HydrophobicContact CG1-CB 3.79Å; V202-V225 HydrophobicContact CG1-CG1 4.2Å; V202-V225 HydrophobicContact CG1-CG2 4.07Å; V202-V225 VanDerWaalsContact O-CA 3.29Å; V202-V225 WeakPolarHBondContact O-CA 3.17Å; V202-V225 WeakPolarHBondContact O-CB 3.06Å; V202-V225 PolarHBondContact O-N 2.88Å
226	K	47.6	Very low	57.9	Low	161 Å²	161	96.4 Å²	96.4	70%	0.7	52%	0.523	S	S	*	.			trans	-151.4	171.1	-154.8	-167.6	172.8	179.9	-177.8	0	120.2	V202	V202-K226 PolarHBondContact N-O 3.01Å
227	R	34	Very low	55.8	Low	152 Å²	152	99 Å²	99	57%	0.574	54%	0.539	S	S	*	.			trans	-137	179.8	-164.1	-57.1	-177.2	175.7	-173.7	-0.4	120.3	G200 D201	G200-R227 WeakPolarHBondContact O-CG 3.11Å; D201-R227 IonicContact OD1-CZ 2.68Å; D201-R227 IonicContact OD1-NE 2.79Å; D201-R227 PolarHBondContact OD1-NE 3.04Å; D201-R227 IonicContact OD1-NH2 3.63Å; D201-R227 PolarHBondContact OD1-NH2 3.3Å; D201-R227 IonicContact OD2-NH2 3.14Å
228	R	30.6	Very low	53	Low	244 Å²	244	105.9 Å²	105.9	92%	0.921	57%	0.573	S	S	*	*			trans	-164.6	172.3	-162	-145.8	-177.4	-164.5	160.7	3.8	122.6
229	D	31.5	Very low	49.7	Very low	171 Å²	171	114.1 Å²	114.1	91%	0.914	61%	0.61	S	S	*	*			trans	-149.3	0	-178	-78.4	-62.9	0	0	0	121.4
230	A	27.7	Very low	46.5	Very low	108 Å²	108	124.9 Å²	124.9	89%	0.893	65%	0.652	S	S	*	*				0	0	0	0	0	0	0	0	124.7
231	A	28.6	Very low	44.2	Very low	107 Å²	107	126.6 Å²	126.6	88%	0.884	68%	0.68	S	S	*	*				0	0	0	0	0	0	0	0	123.6
232	P	36.7	Very low	42.5	Very low	126 Å²	126	130.1 Å²	130.1	82%	0.818	70%	0.7	S	S	*	*				0	0	0	43.2	-23.7	0	0	0	123.9
233	V	31.1	Very low	41.5	Very low	104 Å²	104	136.2 Å²	136.2	63%	0.63	73%	0.732	S	S	*	*				0	176.9	0	179.8	0	0	0	0	120.7	R1149	V233-R1149 VanDerWaalsContact C-CZ 3.42Å; V233-R1149 VanDerWaalsContact C-NH1 3.3Å; V233-R1149 PolarHBondContact O-NH1 3.27Å; V233-R1149 PolarHBondContact O-NH2 3.42Å
234	H	27.5	Very low	41.2	Very low	172 Å²	172	136.9 Å²	136.9	80%	0.796	73%	0.732	S	S	*	*			trans	-120.6	-174.1	-172.3	-71.7	-98.8	0	0	0	121.3	R1149	H234-R1149 PolarHBondContact O-NH2 3.38Å
235	E	31.4	Very low	41	Very low	149 Å²	149	136.4 Å²	136.4	70%	0.696	73%	0.729	S	S	*	*			trans	-175.6	169.4	165.4	-121.6	-174.4	-120.3	0	0	121.6	R1141	E235-R1141 IonicContact OE2-CZ 2.76Å; E235-R1141 IonicContact OE2-NH1 2.68Å; E235-R1141 PolarHBondContact OE2-NH1 2.79Å; E235-R1141 IonicContact OE2-NH2 3.95Å; E235-R1141 PolarHBondContact OE2-NH2 3.31Å
236	A	36.6	Very low	41.1	Very low	72 Å²	72	139.9 Å²	139.9	60%	0.595	74%	0.738	S	S	*	*			trans	-168.6	-168.7	175.8	0	0	0	0	0	115.6	R1141	A236-R1141 PolarHBondContact O-NH2 3.11Å
237	T	29.9	Very low	42.9	Very low	129 Å²	129	135.2 Å²	135.2	79%	0.791	72%	0.721	S	S	*	*			cis	-170.3	159.1	-8.5	-11.3	0	0	0	0	113.9
238	H	26.2	Very low	45.2	Very low	194 Å²	194	130.6 Å²	130.6	90%	0.898	71%	0.705	S	S	*	*			trans	170.3	153.2	156.6	-109	-68	0	0	0	122.4
239	F	20.9	Very low	47.5	Very low	181 Å²	181	120.3 Å²	120.3	79%	0.794	68%	0.675	S	S	*	*			trans	-174	162	153.4	-135.6	-96.6	0	0	0	115.7
240	Y	22.9	Very low	49.9	Very low	225 Å²	225	117.5 Å²	117.5	88%	0.882	66%	0.66	S	S	*	*			trans	178.9	6.6	157.5	-112.7	-62.9	0	0	0	124.1
241	G	37.9	Very low	52.7	Low	78 Å²	78	112.4 Å²	112.4	80%	0.804	62%	0.618	S	S	*	*			trans	-88.1	-5.2	-150.5	0	0	0	0	0	126.3
242	T	51.9	Low	55.4	Low	118 Å²	118	111.3 Å²	111.3	72%	0.724	59%	0.594	S	S	*	*			trans	-105.3	10.1	-146.6	-26.2	0	0	0	0	119.6
243	I	69.2	Low	57.7	Low	134 Å²	134	105.3 Å²	105.3	69%	0.687	56%	0.555	S	S	*	*			trans	-93.3	-27.7	-161.1	-63.1	173.3	0	0	0	115.8	L245	I243-L245 PolarHBondContact O-N 3.01Å
244	L	79.3	Confident	60.2	Low	80 Å²	80	102.3 Å²	102.3	42%	0.419	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-41	-161.7	-177.5	59.3	0	0	0	115.6	K246 K248 L417	L244-K246 PolarHBondContact O-N 3.29Å; L244-K248 PolarHBondContact O-NZ 3.37Å; L244-L417 HydrophobicContact CD1-CD2 4.26Å
245	L	80.8	Confident	62.3	Low	81 Å²	81	99.7 Å²	99.7	42%	0.424	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.4	-161.3	-63.2	171.6	0	0	0	116.1	I243 Y421	I243-L245 PolarHBondContact O-N 3.01Å; L245-Y421 HydrophobicContact CD1-CE2 3.84Å; L245-Y421 HydrophobicContact CD2-CD2 4.49Å; L245-Y421 HydrophobicContact CD2-CE2 3.82Å
246	K	81.6	Confident	64.4	Low	151 Å²	151	97.8 Å²	97.8	66%	0.657	52%	0.524	S	S	*	.	S	Bend	trans	-72.8	153.3	-178.4	-66.1	-171.8	175.5	-171.6	0	112.6	L244 K248	L244-K246 PolarHBondContact O-N 3.29Å; K246-K248 WeakPolarHBondContact O-CE 3.36Å
247	N	84.7	Confident	66.5	Low	64 Å²	64	95.1 Å²	95.1	34%	0.342	50%	0.5	S	S	.	.			trans	-59.9	148.6	160.8	-65.4	8.9	0	0	0	109.7	I251 R420	N247-I251 WeakPolarHBondContact CB-O 3.31Å; N247-R420 PolarHBondContact OD1-NH2 3.44Å
248	K	82.7	Confident	69	Low	54 Å²	54	93.1 Å²	93.1	24%	0.235	48%	0.482	C	S	.	.			trans	-149.1	152.2	-173.6	-65.2	166.4	-158.4	162.5	0	108.9	L244 K246 D250 I251 F416 L417 I418	L244-K248 PolarHBondContact O-NZ 3.37Å; K246-K248 WeakPolarHBondContact O-CE 3.36Å; K248-D250 PolarHBondContact O-N 3.07Å; K248-D250 VanDerWaalsContact O-N 3.15Å; K248-I251 PolarHBondContact O-N 2.73Å; K248-I251 VanDerWaalsContact O-N 3.16Å; K248-F416 HydrophobicContact CB-CB 4.23Å; K248-F416 HydrophobicContact CB-CD2 3.6Å; K248-F416 HydrophobicContact CB-CE2 4.08Å; K248-F416 HydrophobicContact CB-CG 3.87Å; K248-F416 HydrophobicContact CD-CB 4.18Å; K248-F416 VanDerWaalsContact O-CE2 3.3Å; K248-F416 WeakPolarHBondContact O-CE2 3.4Å; K248-F416 WeakPolarHBondContact O-CZ 3.36Å; K248-L417 PolarHBondContact NZ-O 3.4Å; K248-I418 HydrophobicContact CB-CG1 4.39Å
249	G	78.3	Confident	71.8	Confident	28 Å²	28	84 Å²	84	29%	0.289	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	36.2	177.1	0	0	0	0	0	114.1	I251 Q282	G249-I251 PolarHBondContact O-N 3.27Å; G249-Q282 PolarHBondContact O-NE2 3.07Å; G249-Q282 VanDerWaalsContact O-NE2 3.11Å
250	D	82.8	Confident	74.9	Confident	112 Å²	112	76.4 Å²	76.4	60%	0.599	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	18.7	179.9	-49.2	-46.9	0	0	0	115.8	K248 K277	K248-D250 PolarHBondContact O-N 3.07Å; K248-D250 VanDerWaalsContact O-N 3.15Å; D250-K277 WeakPolarHBondContact O-CB 3.37Å; D250-K277 PolarHBondContact O-N 3.04Å
251	I	86.1	Confident	77.8	Confident	2 Å²	2	70 Å²	70	1%	0.01	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.8	166.1	-66.9	-57	0	0	0	110.1	N247 K248 G249 V253 I274 N276 Q282 F413 F416 I418	N247-I251 WeakPolarHBondContact CB-O 3.31Å; K248-I251 PolarHBondContact O-N 2.73Å; K248-I251 VanDerWaalsContact O-N 3.16Å; G249-I251 PolarHBondContact O-N 3.27Å; I251-V253 HydrophobicContact CG2-CG2 3.68Å; I251-I274 HydrophobicContact CG2-CG2 3.81Å; I251-N276 HydrophobicContact CD1-CB 3.74Å; I251-Q282 HydrophobicContact CD1-CB 3.68Å; I251-Q282 HydrophobicContact CD1-CG 3.72Å; I251-Q282 HydrophobicContact CG1-CB 4.16Å; I251-Q282 HydrophobicContact CG1-CG 3.96Å; I251-F413 HydrophobicContact CB-CZ 4.37Å; I251-F413 HydrophobicContact CD1-CE1 4.09Å; I251-F413 HydrophobicContact CD1-CZ 4.44Å; I251-F413 HydrophobicContact CG1-CD1 4.28Å; I251-F413 HydrophobicContact CG1-CE1 3.87Å; I251-F413 HydrophobicContact CG1-CE2 4.45Å; I251-F413 HydrophobicContact CG1-CZ 3.97Å; I251-F413 HydrophobicContact CG2-CE1 4.42Å; I251-F413 HydrophobicContact CG2-CE2 4.1Å; I251-F413 HydrophobicContact CG2-CZ 3.72Å; I251-F416 HydrophobicContact CB-CE2 4.44Å; I251-F416 HydrophobicContact CG1-CE2 4.22Å; I251-F416 HydrophobicContact CG1-CZ 3.92Å; I251-I418 HydrophobicContact CB-CD1 3.88Å; I251-I418 HydrophobicContact CG2-CD1 3.78Å
252	E	85.1	Confident	80.1	Confident	83 Å²	83	67 Å²	67	39%	0.388	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.1	166.5	-175.8	160.9	-144.6	0	0	110.6	E275 K277	E252-E275 PolarHBondContact N-O 2.69Å; E252-E275 PolarHBondContact O-N 2.76Å; E252-K277 HydrophobicContact CB-CG 4.17Å; E252-K277 WeakPolarHBondContact OE2-CE 3.38Å; E252-K277 IonicContact OE2-NZ 3.83Å
253	V	85.2	Confident	81.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.4	175.9	-173.4	0	0	0	0	109	I251 Q255 I272 I274 L411 I418 R420	I251-V253 HydrophobicContact CG2-CG2 3.68Å; V253-Q255 PolarHBondContact O-N 2.78Å; V253-I272 HydrophobicContact CG1-CG2 3.96Å; V253-I274 HydrophobicContact CG1-CG1 4.2Å; V253-I274 HydrophobicContact CG2-CG1 4.29Å; V253-L411 HydrophobicContact CB-CD1 4.34Å; V253-L411 HydrophobicContact CG1-CD1 3.68Å; V253-L411 HydrophobicContact CG2-CD1 3.75Å; V253-I418 HydrophobicContact CG2-CD1 4.31Å; V253-I418 HydrophobicContact CG2-CG2 4.12Å; V253-R420 HydrophobicContact CB-CG 4.47Å; V253-R420 HydrophobicContact CG1-CG 3.88Å; V253-R420 PolarHBondContact O-NE 2.86Å; V253-R420 PolarHBondContact O-NH2 2.86Å
254	T	83.2	Confident	82.4	Confident	41 Å²	41	64.2 Å²	64.2	25%	0.252	34%	0.335	S	S	.	.			trans	-39.8	129.1	177.7	-56.8	0	0	0	0	112.2	W273 R420	T254-W273 PolarHBondContact N-O 2.56Å; T254-W273 WeakPolarHBondContact OG1-CA 3.48Å; T254-W273 WeakPolarHBondContact OG1-CB 3.35Å; T254-W273 PolarHBondContact OG1-N 2.99Å; T254-W273 PolarHBondContact OG1-O 3.13Å; T254-R420 PolarHBondContact O-NE 3.42Å; T254-R420 VanDerWaalsContact O-NE 3.17Å
255	Q	72.8	Confident	82.7	Confident	118 Å²	118	64 Å²	64	55%	0.551	35%	0.352	S	S	*	.	S	Bend	trans	-85.5	-27.1	-177	-55	-64	-7.1	0	0	112.8	V253 T257	V253-Q255 PolarHBondContact O-N 2.78Å; Q255-T257 PolarHBondContact O-N 3.23Å
256	V	74.2	Confident	83.1	Confident	108 Å²	108	68.2 Å²	68.2	66%	0.655	36%	0.363	S	S	*	.			trans	-88.9	100	-180	-176.7	0	0	0	0	109.6
257	T	80.4	Confident	83.4	Confident	16 Å²	16	64.4 Å²	64.4	10%	0.098	36%	0.355	C	S	.	.			trans	-122.5	22.4	-177.6	48.9	0	0	0	0	112.9	Q255 I272 R420 Y421 E423	Q255-T257 PolarHBondContact O-N 3.23Å; T257-I272 HydrophobicContact CG2-CD1 3.96Å; T257-I272 HydrophobicContact CG2-CG1 4.41Å; T257-R420 HydrophobicContact CG2-CB 4.41Å; T257-Y421 WeakPolarHBondContact CB-O 3.32Å; T257-Y421 PolarHBondContact OG1-O 3Å; T257-E423 PolarHBondContact O-N 2.68Å
258	H	82.9	Confident	83.7	Confident	88 Å²	88	65.8 Å²	65.8	41%	0.407	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.5	-176.7	-171.6	95.4	0	0	0	110.9	G260 M270 E423	H258-G260 VanDerWaalsContact CD2-CA 3.49Å; H258-G260 WeakPolarHBondContact CD2-CA 3.49Å; H258-G260 PolarHBondContact CD2-N 3.2Å; H258-G260 WeakPolarHBondContact NE2-CA 3.27Å; H258-G260 PolarHBondContact O-N 3.17Å; H258-M270 WeakPolarHBondContact O-CE 3.42Å; H258-E423 CarbonylContact C-O 3.5Å; H258-E423 WeakPolarHBondContact CA-O 3.39Å; H258-E423 HydrophobicContact CB-CB 4.44Å; H258-E423 IonicContact CE1-OE2 3.98Å; H258-E423 VanDerWaalsContact ND1-CB 3.28Å; H258-E423 WeakPolarHBondContact ND1-CB 3.49Å; H258-E423 IonicContact ND1-OE2 3.21Å; H258-E423 PolarHBondContact ND1-OE2 2.63Å
259	F	85.2	Confident	84	Confident	3 Å²	3	67 Å²	67	1%	0.013	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-16.9	-177.5	-78.2	-104	0	0	0	113.6	K268 M270 F298 V395 C397 E423 V424	F259-K268 HydrophobicContact CD1-CB 4.23Å; F259-K268 HydrophobicContact CD1-CD 4.35Å; F259-K268 HydrophobicContact CD1-CG 4.11Å; F259-K268 WeakPolarHBondContact CE1-O 3.37Å; F259-K268 WeakPolarHBondContact O-CE 3.36Å; F259-K268 PolarHBondContact O-NZ 3.38Å; F259-M270 HydrophobicContact CD1-CB 4.31Å; F259-M270 HydrophobicContact CD2-CE 4.4Å; F259-M270 HydrophobicContact CD2-SD 4.46Å; F259-M270 HydrophobicContact CE1-CB 3.63Å; F259-M270 HydrophobicContact CE2-CB 4.21Å; F259-M270 HydrophobicContact CE2-SD 4.21Å; F259-M270 HydrophobicContact CG-CE 4.46Å; F259-M270 HydrophobicContact CZ-CB 3.57Å; F259-F298 AromaticContact CD2-CE1 3.89Å; F259-F298 HydrophobicContact CD2-CE1 3.89Å; F259-F298 HydrophobicContact CE2-CD1 4.16Å; F259-F298 AromaticContact CE2-CE1 3.8Å; F259-F298 HydrophobicContact CE2-CE1 3.8Å; F259-V395 HydrophobicContact CE2-CG1 4.15Å; F259-V395 HydrophobicContact CZ-CB 3.98Å; F259-V395 HydrophobicContact CZ-CG1 3.73Å; F259-C397 HydrophobicContact CD1-CB 3.68Å; F259-C397 HydrophobicContact CD2-CB 4.44Å; F259-C397 HydrophobicContact CE1-CB 3.59Å; F259-C397 HydrophobicContact CE2-CB 4.37Å; F259-C397 HydrophobicContact CG-CB 4.12Å; F259-C397 HydrophobicContact CZ-CB 3.96Å; F259-E423 PolarHBondContact N-O 3.29Å; F259-V424 HydrophobicContact CB-CB 4.01Å; F259-V424 HydrophobicContact CB-CG2 3.88Å
260	G	85.6	Confident	84.5	Confident	21 Å²	21	67.3 Å²	67.3	22%	0.216	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.5	-153.3	-175.7	0	0	0	0	0	112	H258 N425	H258-G260 VanDerWaalsContact CD2-CA 3.49Å; H258-G260 WeakPolarHBondContact CD2-CA 3.49Å; H258-G260 PolarHBondContact CD2-N 3.2Å; H258-G260 WeakPolarHBondContact NE2-CA 3.27Å; H258-G260 PolarHBondContact O-N 3.17Å; G260-N425 PolarHBondContact O-N 3.06Å
261	T	83.5	Confident	84.8	Confident	90 Å²	90	64.8 Å²	64.8	55%	0.552	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.7	179	-68.1	0	0	0	0	111.9	N425 I427	T261-N425 CarbonylContact C-O 3.56Å; T261-N425 VanDerWaalsContact CA-O 3.25Å; T261-N425 WeakPolarHBondContact CA-O 3.18Å; T261-N425 PolarHBondContact OG1-ND2 3.3Å; T261-N425 VanDerWaalsContact OG1-ND2 3.15Å; T261-I427 HydrophobicContact CG2-CD1 3.53Å; T261-I427 HydrophobicContact CG2-CG1 3.92Å
262	L	87	Confident	84.9	Confident	16 Å²	16	64.7 Å²	64.7	8%	0.084	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.4	-179.8	-174.5	56.9	0	0	0	108.8	R266 K268 V424 N425 V426 I427	L262-R266 HydrophobicContact CD1-CB 3.86Å; L262-R266 WeakPolarHBondContact CD2-O 3.41Å; L262-K268 HydrophobicContact CD1-CB 4.09Å; L262-K268 HydrophobicContact CD2-CB 4.41Å; L262-V424 HydrophobicContact CB-CG2 4.1Å; L262-V424 HydrophobicContact CD2-CG2 4.28Å; L262-N425 PolarHBondContact N-O 2.9Å; L262-V426 CarbonylContact O-C 3.55Å; L262-V426 VanDerWaalsContact O-CA 3.31Å; L262-V426 WeakPolarHBondContact O-CA 3.41Å; L262-I427 PolarHBondContact O-N 2.91Å
263	K	85.2	Confident	85	Confident	136 Å²	136	66.8 Å²	66.8	59%	0.591	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	144.5	172.1	-68.5	-164.7	174.8	-166.8	0	110.3	R266 I427	K263-R266 HydrophobicContact CB-CG 4.45Å; K263-R266 WeakPolarHBondContact O-CB 3.35Å; K263-R266 PolarHBondContact O-N 3.03Å; K263-R266 VanDerWaalsContact O-N 3.1Å; K263-I427 WeakPolarHBondContact CA-O 3.4Å
264	E	84.2	Confident	85.2	Confident	56 Å²	56	66.8 Å²	66.8	26%	0.262	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	140.1	173.7	-165.3	172.4	-155.5	0	0	111	R266 G399 V426 I427 S428 R1025	E264-R266 VanDerWaalsContact C-N 3.28Å; E264-R266 PolarHBondContact O-N 3.11Å; E264-G399 CarbonylContact C-O 3.57Å; E264-G399 WeakPolarHBondContact CA-O 3.46Å; E264-V426 HydrophobicContact CB-CG1 4.17Å; E264-I427 PolarHBondContact N-O 3.36Å; E264-S428 WeakPolarHBondContact OE2-CA 3.19Å; E264-S428 WeakPolarHBondContact OE2-CB 3.47Å; E264-R1025 IonicContact OE1-CZ 2.98Å; E264-R1025 IonicContact OE1-NH1 3.25Å; E264-R1025 PolarHBondContact OE1-NH1 3Å; E264-R1025 IonicContact OE1-NH2 3.57Å; E264-R1025 PolarHBondContact OE1-NH2 3.03Å; E264-R1025 IonicContact OE2-CZ 3.17Å; E264-R1025 IonicContact OE2-NH1 3.34Å; E264-R1025 IonicContact OE2-NH2 2.69Å; E264-R1025 PolarHBondContact OE2-NH2 3.31Å
265	G	84.5	Confident	85.5	Confident	75 Å²	75	66.9 Å²	66.9	77%	0.773	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-3.8	-174.5	0	0	0	0	0	116.2	G399	G265-G399 PolarHBondContact N-O 2.71Å
266	R	89.1	Confident	86.3	Confident	170 Å²	170	61.3 Å²	61.3	64%	0.642	33%	0.329	S	S	*	.			trans	-101.4	157.9	173.7	-62.4	-167.5	175.7	-159.7	-4.5	112.2	L262 K263 E264 G399	L262-R266 HydrophobicContact CD1-CB 3.86Å; L262-R266 WeakPolarHBondContact CD2-O 3.41Å; K263-R266 HydrophobicContact CB-CG 4.45Å; K263-R266 WeakPolarHBondContact O-CB 3.35Å; K263-R266 PolarHBondContact O-N 3.03Å; K263-R266 VanDerWaalsContact O-N 3.1Å; E264-R266 VanDerWaalsContact C-N 3.28Å; E264-R266 PolarHBondContact O-N 3.11Å; R266-G399 WeakPolarHBondContact O-CA 3.2Å; R266-G399 PolarHBondContact O-N 2.71Å
267	S	89.5	Confident	86.9	Confident	72 Å²	72	61.5 Å²	61.5	50%	0.503	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.3	173.1	-52.5	0	0	0	0	111.7	C397 D398	S267-C397 CarbonylContact C-O 3.56Å; S267-C397 WeakPolarHBondContact CA-O 3.47Å; S267-D398 WeakPolarHBondContact CB-OD1 3.45Å; S267-D398 PolarHBondContact OG-OD1 2.96Å
268	K	90.4	Very high	87.1	Confident	92 Å²	92	61.1 Å²	61.1	40%	0.4	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.2	175.9	-177.3	174	-179.9	179.1	0	110.6	F259 L262 C397	F259-K268 HydrophobicContact CD1-CB 4.23Å; F259-K268 HydrophobicContact CD1-CD 4.35Å; F259-K268 HydrophobicContact CD1-CG 4.11Å; F259-K268 WeakPolarHBondContact CE1-O 3.37Å; F259-K268 WeakPolarHBondContact O-CE 3.36Å; F259-K268 PolarHBondContact O-NZ 3.38Å; L262-K268 HydrophobicContact CD1-CB 4.09Å; L262-K268 HydrophobicContact CD2-CB 4.41Å; K268-C397 PolarHBondContact N-O 3.05Å; K268-C397 PolarHBondContact O-N 2.93Å
269	T	89.4	Confident	87.1	Confident	79 Å²	79	64.3 Å²	64.3	49%	0.485	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.2	-178.8	-52.8	0	0	0	0	111.2	V394 V395 I396	T269-V394 HydrophobicContact CG2-CG1 3.35Å; T269-V395 CarbonylContact C-O 3.52Å; T269-V395 WeakPolarHBondContact CA-O 3.25Å; T269-I396 HydrophobicContact CG2-CG1 4.11Å
270	M	88.9	Confident	87	Confident	35 Å²	35	69.9 Å²	69.9	17%	0.172	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.9	176.2	177.8	176	-76.6	0	0	109.4	H258 F259 V395	H258-M270 WeakPolarHBondContact O-CE 3.42Å; F259-M270 HydrophobicContact CD1-CB 4.31Å; F259-M270 HydrophobicContact CD2-CE 4.4Å; F259-M270 HydrophobicContact CD2-SD 4.46Å; F259-M270 HydrophobicContact CE1-CB 3.63Å; F259-M270 HydrophobicContact CE2-CB 4.21Å; F259-M270 HydrophobicContact CE2-SD 4.21Å; F259-M270 HydrophobicContact CG-CE 4.46Å; F259-M270 HydrophobicContact CZ-CB 3.57Å; M270-V395 PolarHBondContact N-O 3.39Å; M270-V395 PolarHBondContact O-N 2.7Å
271	V	88	Confident	86.9	Confident	60 Å²	60	71.9 Å²	71.9	36%	0.364	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.5	173.8	-176.8	0	0	0	0	109	W273 F392 V394	V271-W273 HydrophobicContact CG1-CZ2 4.32Å; V271-F392 HydrophobicContact CG1-CB 3.72Å; V271-F392 HydrophobicContact CG1-CD2 3.92Å; V271-F392 HydrophobicContact CG1-CG 4.09Å; V271-V394 HydrophobicContact CG2-CG2 4.48Å
272	I	87.7	Confident	86.9	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116	175.7	-63.2	180	0	0	0	108	V253 T257 F392 I393 V395 L409 L422	V253-I272 HydrophobicContact CG1-CG2 3.96Å; T257-I272 HydrophobicContact CG2-CD1 3.96Å; T257-I272 HydrophobicContact CG2-CG1 4.41Å; I272-F392 CarbonylContact O-C 3.25Å; I272-F392 VanDerWaalsContact O-CA 3.28Å; I272-F392 WeakPolarHBondContact O-CA 3.07Å; I272-I393 PolarHBondContact N-O 2.9Å; I272-I393 PolarHBondContact O-N 2.96Å; I272-V395 HydrophobicContact CD1-CG2 3.75Å; I272-V395 HydrophobicContact CG1-CG2 4.23Å; I272-L409 HydrophobicContact CD1-CD2 3.81Å; I272-L422 HydrophobicContact CD1-CD2 3.59Å
273	W	88.1	Confident	86.8	Confident	126 Å²	126	70.6 Å²	70.6	48%	0.477	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.7	174	-61.8	89.8	0	0	0	111.5	T254 V271 K390 F392	T254-W273 PolarHBondContact N-O 2.56Å; T254-W273 WeakPolarHBondContact OG1-CA 3.48Å; T254-W273 WeakPolarHBondContact OG1-CB 3.35Å; T254-W273 PolarHBondContact OG1-N 2.99Å; T254-W273 PolarHBondContact OG1-O 3.13Å; V271-W273 HydrophobicContact CG1-CZ2 4.32Å; W273-K390 HydrophobicContact CE3-CB 4.5Å; W273-F392 HydrophobicContact CD2-CB 4.05Å; W273-F392 HydrophobicContact CE3-CB 3.79Å; W273-F392 HydrophobicContact CE3-CD1 4.38Å; W273-F392 HydrophobicContact CH2-CB 4.4Å; W273-F392 AromaticContact CH2-CD1 3.93Å; W273-F392 HydrophobicContact CH2-CD1 3.93Å; W273-F392 HydrophobicContact CH2-CG 4.35Å; W273-F392 HydrophobicContact CZ3-CB 3.99Å; W273-F392 AromaticContact CZ3-CD1 3.72Å; W273-F392 HydrophobicContact CZ3-CD1 3.72Å; W273-F392 HydrophobicContact CZ3-CG 4.2Å
274	I	89	Confident	86.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.8	172.1	-60.4	171.9	0	0	0	106.3	I251 V253 L284 K390 T391 I393 L411 F413	I251-I274 HydrophobicContact CG2-CG2 3.81Å; V253-I274 HydrophobicContact CG1-CG1 4.2Å; V253-I274 HydrophobicContact CG2-CG1 4.29Å; I274-L284 HydrophobicContact CD1-CD2 3.83Å; I274-K390 WeakPolarHBondContact O-CA 2.94Å; I274-T391 HydrophobicContact CB-CG2 3.82Å; I274-T391 HydrophobicContact CD1-CG2 4.41Å; I274-T391 HydrophobicContact CG2-CG2 4.2Å; I274-T391 PolarHBondContact N-O 2.93Å; I274-T391 PolarHBondContact O-N 3.37Å; I274-T391 VanDerWaalsContact O-O 3.13Å; I274-I393 HydrophobicContact CD1-CD1 3.74Å; I274-I393 HydrophobicContact CD1-CG1 4.4Å; I274-L411 HydrophobicContact CD1-CD1 3.77Å; I274-L411 HydrophobicContact CD1-CD2 3.95Å; I274-L411 HydrophobicContact CD1-CG 4.45Å; I274-L411 HydrophobicContact CG1-CD1 4.19Å; I274-F413 HydrophobicContact CG2-CZ 4.09Å
275	E	89.3	Confident	86.5	Confident	44 Å²	44	65 Å²	65	21%	0.206	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.9	-179.5	-177.1	172.9	-179.7	0	0	109.8	E252 K277 G389 K390	E252-E275 PolarHBondContact N-O 2.69Å; E252-E275 PolarHBondContact O-N 2.76Å; E275-K277 HydrophobicContact CG-CD 4.05Å; E275-K277 WeakPolarHBondContact OE1-CE 3.27Å; E275-K277 IonicContact OE1-NZ 2.81Å; E275-K277 PolarHBondContact OE1-NZ 2.99Å; E275-K277 IonicContact OE2-NZ 2.89Å; E275-K277 PolarHBondContact OE2-NZ 2.81Å; E275-G389 WeakPolarHBondContact CA-O 3.41Å; E275-K390 HydrophobicContact CB-CG 4.13Å; E275-K390 HydrophobicContact CG-CD 4.49Å; E275-K390 HydrophobicContact CG-CG 3.9Å; E275-K390 WeakPolarHBondContact OE1-CE 3.42Å; E275-K390 IonicContact OE1-NZ 2.77Å; E275-K390 PolarHBondContact OE1-NZ 3.4Å; E275-K390 WeakPolarHBondContact OE2-CE 3.46Å; E275-K390 IonicContact OE2-NZ 3.18Å; E275-K390 PolarHBondContact OE2-NZ 2.78Å
276	N	90.1	Very high	86.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.7	173.3	-175	5	0	0	0	109.7	I251 G278 I280 Q282 V385 P386 G388 G389	I251-N276 HydrophobicContact CD1-CB 3.74Å; N276-G278 PolarHBondContact OD1-N 3.14Å; N276-G278 VanDerWaalsContact OD1-N 3.07Å; N276-G278 PolarHBondContact OD1-O 2.81Å; N276-I280 PolarHBondContact ND2-O 2.84Å; N276-Q282 PolarHBondContact ND2-N 2.96Å; N276-V385 HydrophobicContact CB-CB 4.37Å; N276-V385 HydrophobicContact CB-CG1 3.72Å; N276-V385 PolarHBondContact ND2-O 2.8Å; N276-P386 WeakPolarHBondContact CB-O 3.46Å; N276-P386 PolarHBondContact ND2-O 2.93Å; N276-G388 VanDerWaalsContact O-CA 3.23Å; N276-G388 WeakPolarHBondContact O-CA 3.31Å; N276-G388 PolarHBondContact O-N 2.9Å; N276-G389 PolarHBondContact N-O 3.03Å
277	K	87.2	Confident	85.8	Confident	112 Å²	112	54.3 Å²	54.3	49%	0.487	29%	0.287	S	S	.	.			trans	-92.9	-7.4	178.4	-57.7	-67.8	-170.3	178.5	0	113.1	D250 E252 E275	D250-K277 WeakPolarHBondContact O-CB 3.37Å; D250-K277 PolarHBondContact O-N 3.04Å; E252-K277 HydrophobicContact CB-CG 4.17Å; E252-K277 WeakPolarHBondContact OE2-CE 3.38Å; E252-K277 IonicContact OE2-NZ 3.83Å; E275-K277 HydrophobicContact CG-CD 4.05Å; E275-K277 WeakPolarHBondContact OE1-CE 3.27Å; E275-K277 IonicContact OE1-NZ 2.81Å; E275-K277 PolarHBondContact OE1-NZ 2.99Å; E275-K277 IonicContact OE2-NZ 2.89Å; E275-K277 PolarHBondContact OE2-NZ 2.81Å
278	G	84.3	Confident	85.6	Confident	8 Å²	8	55.2 Å²	55.2	8%	0.082	28%	0.282	C	S	.	.	S	Bend	trans	-94.5	164	-179.5	0	0	0	0	0	113.6	N276 I280 P387	N276-G278 PolarHBondContact OD1-N 3.14Å; N276-G278 VanDerWaalsContact OD1-N 3.07Å; N276-G278 PolarHBondContact OD1-O 2.81Å; G278-I280 PolarHBondContact O-N 3.39Å; G278-P387 WeakPolarHBondContact O-CA 3.48Å; G278-P387 WeakPolarHBondContact O-CB 3.28Å
279	D	83.6	Confident	85.2	Confident	155 Å²	155	53.2 Å²	53.2	83%	0.829	28%	0.275	S	S	*	.	S	Bend	trans	-75.8	-7.3	-178.6	-57.1	-57.2	0	0	0	114.1	P387	D279-P387 WeakPolarHBondContact O-CG 3.15Å
280	I	83.4	Confident	84.7	Confident	120 Å²	120	51.3 Å²	51.3	62%	0.615	27%	0.268	S	S	*	.	S	Bend	trans	-106.5	131.2	-175.5	-58.1	177.5	0	0	0	109.5	N276 G278 Q282	N276-I280 PolarHBondContact ND2-O 2.84Å; G278-I280 PolarHBondContact O-N 3.39Å; I280-Q282 PolarHBondContact O-N 3.1Å
281	P	82.8	Confident	84	Confident	64 Å²	64	52.1 Å²	52.1	42%	0.416	29%	0.285	S	S	.	.			trans	-64.5	124.1	174.8	26.8	-34.4	0	0	0	111	L384 V385	P281-L384 HydrophobicContact CB-CD1 4.03Å; P281-L384 HydrophobicContact CB-CD2 4.25Å; P281-L384 HydrophobicContact CB-CG 4.14Å; P281-V385 WeakPolarHBondContact CA-O 3.48Å
282	Q	84.2	Confident	83.2	Confident	22 Å²	22	55.5 Å²	55.5	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.8	-177.1	-72.2	-69.2	-3.7	0	0	110.3	G249 I251 N276 I280 V385 F413	G249-Q282 PolarHBondContact O-NE2 3.07Å; G249-Q282 VanDerWaalsContact O-NE2 3.11Å; I251-Q282 HydrophobicContact CD1-CB 3.68Å; I251-Q282 HydrophobicContact CD1-CG 3.72Å; I251-Q282 HydrophobicContact CG1-CB 4.16Å; I251-Q282 HydrophobicContact CG1-CG 3.96Å; N276-Q282 PolarHBondContact ND2-N 2.96Å; I280-Q282 PolarHBondContact O-N 3.1Å; Q282-V385 PolarHBondContact N-O 3.05Å; Q282-V385 WeakPolarHBondContact O-CB 3.4Å; Q282-V385 PolarHBondContact O-N 2.87Å; Q282-F413 HydrophobicContact CB-CD1 4.23Å
283	N	83.6	Confident	82.5	Confident	57 Å²	57	56 Å²	56	31%	0.305	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.6	177.3	-171.4	30	0	0	0	110.7	V285 G383 L384 F413 S414	N283-V285 PolarHBondContact O-N 2.72Å; N283-G383 PolarHBondContact OD1-O 3.31Å; N283-L384 HydrophobicContact CB-CD1 4.15Å; N283-F413 WeakPolarHBondContact O-CA 3.12Å; N283-F413 WeakPolarHBondContact O-CD1 3.47Å; N283-S414 PolarHBondContact O-N 2.82Å
284	L	83.7	Confident	81.6	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	102.5	168.5	178.6	59.7	0	0	0	107.5	I274 G382 G383 T391 L411 F413	I274-L284 HydrophobicContact CD1-CD2 3.83Å; L284-G382 CarbonylContact O-C 3.58Å; L284-G382 WeakPolarHBondContact O-CA 3.44Å; L284-G383 PolarHBondContact N-O 2.91Å; L284-G383 PolarHBondContact O-N 2.93Å; L284-T391 HydrophobicContact CD2-CG2 4.48Å; L284-L411 HydrophobicContact CD1-CB 4.2Å; L284-L411 HydrophobicContact CD1-CD2 4.39Å; L284-F413 HydrophobicContact CB-CD1 4.3Å; L284-F413 HydrophobicContact CB-CE1 3.9Å; L284-F413 HydrophobicContact CD1-CD1 4.45Å; L284-F413 HydrophobicContact CD1-CE1 4Å; L284-F413 HydrophobicContact CD1-CE2 4.15Å; L284-F413 HydrophobicContact CD1-CZ 3.82Å; L284-F413 HydrophobicContact CG-CE1 4.49Å
285	V	79.6	Confident	80.9	Confident	70 Å²	70	61.5 Å²	61.5	42%	0.424	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-39.8	-172.4	-177.2	0	0	0	0	111.5	N283 C412	N283-V285 PolarHBondContact O-N 2.72Å; V285-C412 WeakPolarHBondContact CB-O 3.34Å; V285-C412 PolarHBondContact N-O 3.44Å
286	S	79.9	Confident	80.4	Confident	14 Å²	14	65.9 Å²	65.9	10%	0.098	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	157.2	171.7	55.9	0	0	0	0	112.6	K288 C412	S286-K288 WeakPolarHBondContact OG-CE 3.38Å; S286-C412 PolarHBondContact N-O 3.26Å; S286-C412 WeakPolarHBondContact O-CB 3.14Å; S286-C412 PolarHBondContact O-N 2.96Å
287	C	80.1	Confident	80.2	Confident	6 Å²	6	66.1 Å²	66.1	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.8	167.7	-59	0	0	0	0	108.5	F300 I393 L410 L411	C287-F300 HydrophobicContact CB-CE2 4.13Å; C287-F300 HydrophobicContact CB-CZ 4.2Å; C287-F300 VanDerWaalsContact O-CZ 3.24Å; C287-F300 WeakPolarHBondContact O-CZ 3.22Å; C287-I393 HydrophobicContact CB-CD1 4.33Å; C287-I393 WeakPolarHBondContact SG-CD1 3.38Å; C287-L410 WeakPolarHBondContact CA-O 3.2Å; C287-L411 HydrophobicContact CB-CD2 4.27Å
288	K	83.7	Confident	80.2	Confident	91 Å²	91	61 Å²	61	40%	0.396	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.5	-179.2	-60.6	-168.9	179.4	-169.8	0	110.7	S286 L410	S286-K288 WeakPolarHBondContact OG-CE 3.38Å; K288-L410 PolarHBondContact N-O 3.27Å; K288-L410 WeakPolarHBondContact O-CB 3.37Å; K288-L410 PolarHBondContact O-N 3.09Å
289	L	83.4	Confident	80.3	Confident	50 Å²	50	67.3 Å²	67.3	26%	0.262	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	141.6	167.4	-59.8	-179.5	0	0	0	108.5	G291 F298 F300 E407 L409 L422	L289-G291 PolarHBondContact O-N 3.48Å; L289-F298 HydrophobicContact CD1-CB 3.94Å; L289-F300 HydrophobicContact CD1-CD1 4.49Å; L289-F300 HydrophobicContact CG-CD1 4.25Å; L289-F300 HydrophobicContact CG-CE1 4.21Å; L289-E407 HydrophobicContact CB-CG 3.98Å; L289-E407 HydrophobicContact CD1-CG 4.35Å; L289-E407 HydrophobicContact CD2-CG 3.99Å; L289-E407 HydrophobicContact CG-CG 4.32Å; L289-L409 HydrophobicContact CD2-CB 4.25Å; L289-L409 HydrophobicContact CD2-CD1 3.95Å; L289-L422 HydrophobicContact CD2-CD1 3.67Å
290	A	77.6	Confident	80.2	Confident	39 Å²	39	62.3 Å²	62.3	32%	0.322	32%	0.316	S	S	.	.			trans	-72.3	-4.8	-178.4	0	0	0	0	0	114	W292 E407 L408	A290-W292 HydrophobicContact CB-CG 4.33Å; A290-E407 PolarHBondContact N-OE1 3.19Å; A290-L408 HydrophobicContact CB-CB 3.81Å; A290-L408 HydrophobicContact CB-CD2 4.38Å; A290-L408 HydrophobicContact CB-CG 4.31Å; A290-L408 PolarHBondContact N-O 3.42Å
291	G	74.3	Confident	79.8	Confident	53 Å²	53	62.3 Å²	62.3	55%	0.546	31%	0.313	S	S	.	.	S	Bend	trans	74.9	25	175.6	0	0	0	0	0	113.5	L289 D293 E407	L289-G291 PolarHBondContact O-N 3.48Å; G291-D293 VanDerWaalsContact C-N 3.29Å; G291-E407 WeakPolarHBondContact CA-OE2 3.3Å; G291-E407 PolarHBondContact N-OE1 2.91Å; G291-E407 PolarHBondContact N-OE2 3.48Å
292	W	72.8	Confident	78.6	Confident	130 Å²	130	62.7 Å²	62.7	49%	0.492	31%	0.31	S	S	.	.			trans	-72.1	-28	175.5	-62	5.3	0	0	0	111	A290 E407 L408 Y421	A290-W292 HydrophobicContact CB-CG 4.33Å; W292-E407 WeakPolarHBondContact CB-OE1 3.43Å; W292-E407 PolarHBondContact N-OE1 3.41Å; W292-E407 VanDerWaalsContact N-OE1 3.17Å; W292-E407 PolarHBondContact N-OE2 2.73Å; W292-L408 HydrophobicContact CD2-CB 4.34Å; W292-L408 HydrophobicContact CE3-CB 4.29Å; W292-L408 HydrophobicContact CH2-CB 4.14Å; W292-L408 HydrophobicContact CH2-CD2 4.08Å; W292-L408 HydrophobicContact CZ2-CB 4.15Å; W292-L408 HydrophobicContact CZ2-CD2 3.86Å; W292-L408 HydrophobicContact CZ3-CB 4.21Å; W292-Y421 AromaticContact CH2-CE1 3.82Å; W292-Y421 HydrophobicContact CH2-CE1 3.82Å; W292-Y421 HydrophobicContact CZ3-CD1 4.24Å; W292-Y421 AromaticContact CZ3-CE1 3.63Å; W292-Y421 HydrophobicContact CZ3-CE1 3.63Å
293	D	72.5	Confident	77	Confident	10 Å²	10	65.4 Å²	65.4	5%	0.053	33%	0.325	C	S	.	.			trans	-90.3	97.4	172.1	173.2	20.2	0	0	0	112.2	G291 S295 K296 Q297 F298 E407	G291-D293 VanDerWaalsContact C-N 3.29Å; D293-S295 PolarHBondContact O-N 3.16Å; D293-S295 WeakPolarHBondContact OD1-CA 3.48Å; D293-S295 WeakPolarHBondContact OD1-CB 3.33Å; D293-S295 PolarHBondContact OD1-N 2.99Å; D293-S295 PolarHBondContact OD1-OG 2.85Å; D293-K296 PolarHBondContact O-N 2.69Å; D293-K296 PolarHBondContact OD1-N 2.89Å; D293-K296 PolarHBondContact OD2-N 2.72Å; D293-Q297 WeakPolarHBondContact OD2-CA 3.43Å; D293-Q297 VanDerWaalsContact OD2-CB 3.22Å; D293-Q297 WeakPolarHBondContact OD2-CB 3.41Å; D293-Q297 PolarHBondContact OD2-N 3.49Å; D293-F298 HydrophobicContact CB-CD2 4.42Å; D293-F298 PolarHBondContact OD2-N 2.74Å; D293-E407 PolarHBondContact N-OE2 2.78Å
294	K	69.5	Low	75	Confident	208 Å²	208	69.4 Å²	69.4	90%	0.904	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.3	175.5	-68.7	-173.4	178.5	-179.3	0	114	K296	K294-K296 VanDerWaalsContact C-N 3.33Å
295	S	73.5	Confident	73	Confident	35 Å²	35	78.6 Å²	78.6	25%	0.245	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.5	-178.3	9.7	0	0	0	0	113.6	D293 Q297 K400 N401	D293-S295 PolarHBondContact O-N 3.16Å; D293-S295 WeakPolarHBondContact OD1-CA 3.48Å; D293-S295 WeakPolarHBondContact OD1-CB 3.33Å; D293-S295 PolarHBondContact OD1-N 2.99Å; D293-S295 PolarHBondContact OD1-OG 2.85Å; S295-Q297 PolarHBondContact O-N 2.76Å; S295-K400 WeakPolarHBondContact O-CD 3.36Å; S295-K400 PolarHBondContact O-NZ 3.42Å; S295-N401 VanDerWaalsContact CB-ND2 3.31Å; S295-N401 WeakPolarHBondContact CB-ND2 3.46Å; S295-N401 PolarHBondContact OG-ND2 2.74Å
296	K	79.6	Confident	70.8	Confident	136 Å²	136	82.9 Å²	82.9	59%	0.591	41%	0.406	S	S	*	.			trans	47.3	49.1	-172.2	-58.4	-165.6	175.9	-160.5	0	111.4	D293 K294 F298 K400	D293-K296 PolarHBondContact O-N 2.69Å; D293-K296 PolarHBondContact OD1-N 2.89Å; D293-K296 PolarHBondContact OD2-N 2.72Å; K294-K296 VanDerWaalsContact C-N 3.33Å; K296-F298 VanDerWaalsContact C-N 3.35Å; K296-K400 PolarHBondContact O-NZ 2.82Å
297	Q	85.2	Confident	68.4	Low	5 Å²	5	89.2 Å²	89.2	2%	0.023	43%	0.434	C	S	.	.			trans	-63.3	-45.2	168.9	-60	-170	-111.3	0	0	109.7	D293 S295 C397 D398 K400	D293-Q297 WeakPolarHBondContact OD2-CA 3.43Å; D293-Q297 VanDerWaalsContact OD2-CB 3.22Å; D293-Q297 WeakPolarHBondContact OD2-CB 3.41Å; D293-Q297 PolarHBondContact OD2-N 3.49Å; S295-Q297 PolarHBondContact O-N 2.76Å; Q297-C397 CarbonylContact O-C 3.57Å; Q297-C397 WeakPolarHBondContact O-CA 3.46Å; Q297-D398 VanDerWaalsContact CB-O 3.23Å; Q297-D398 WeakPolarHBondContact CB-O 3.39Å; Q297-D398 WeakPolarHBondContact CG-O 3.45Å; Q297-D398 PolarHBondContact NE2-O 3.36Å; Q297-D398 PolarHBondContact O-N 3.36Å; Q297-K400 HydrophobicContact CG-CB 4.17Å; Q297-K400 HydrophobicContact CG-CD 4.23Å; Q297-K400 HydrophobicContact CG-CG 4.45Å
298	F	87.3	Confident	65.9	Low	4 Å²	4	98 Å²	98	2%	0.018	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.6	173.8	-59.8	-76.4	0	0	0	111.4	F259 L289 D293 K296 V395 I396 C397 C405 E407 L422 V424	F259-F298 AromaticContact CD2-CE1 3.89Å; F259-F298 HydrophobicContact CD2-CE1 3.89Å; F259-F298 HydrophobicContact CE2-CD1 4.16Å; F259-F298 AromaticContact CE2-CE1 3.8Å; F259-F298 HydrophobicContact CE2-CE1 3.8Å; L289-F298 HydrophobicContact CD1-CB 3.94Å; D293-F298 HydrophobicContact CB-CD2 4.42Å; D293-F298 PolarHBondContact OD2-N 2.74Å; K296-F298 VanDerWaalsContact C-N 3.35Å; F298-V395 HydrophobicContact CD1-CG1 4.37Å; F298-I396 WeakPolarHBondContact CA-O 3.27Å; F298-C397 HydrophobicContact CD1-CB 4.01Å; F298-C397 HydrophobicContact CE1-CB 4.04Å; F298-C397 VanDerWaalsContact CE1-SG 3.53Å; F298-C405 HydrophobicContact CE2-CB 4.2Å; F298-E407 HydrophobicContact CD2-CB 3.69Å; F298-E407 HydrophobicContact CD2-CG 4.4Å; F298-E407 HydrophobicContact CE2-CB 3.93Å; F298-E407 HydrophobicContact CG-CB 4.48Å; F298-L422 HydrophobicContact CB-CD1 4.34Å; F298-L422 HydrophobicContact CD1-CB 4.04Å; F298-L422 HydrophobicContact CD1-CD1 4.09Å; F298-L422 HydrophobicContact CE1-CB 3.81Å; F298-L422 HydrophobicContact CE2-CB 4.45Å; F298-L422 HydrophobicContact CG-CB 4.45Å; F298-L422 HydrophobicContact CG-CD1 4.22Å; F298-L422 HydrophobicContact CZ-CB 4.02Å; F298-V424 HydrophobicContact CE1-CB 4.48Å; F298-V424 HydrophobicContact CE1-CG1 4.38Å; F298-V424 HydrophobicContact CE2-CG1 4.36Å; F298-V424 HydrophobicContact CZ-CB 4.14Å; F298-V424 HydrophobicContact CZ-CG1 3.72Å
299	R	85.3	Confident	63.2	Low	140 Å²	140	98.8 Å²	98.8	53%	0.528	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.5	169.7	-65.7	-171.7	-93.6	173.9	-3.4	107.9	V395 I396 D398	R299-V395 WeakPolarHBondContact O-CA 3.13Å; R299-I396 PolarHBondContact N-O 3.49Å; R299-I396 PolarHBondContact O-N 2.72Å; R299-I396 VanDerWaalsContact O-O 3.08Å; R299-D398 IonicContact CZ-OD2 3.38Å; R299-D398 IonicContact NE-OD2 3.26Å; R299-D398 PolarHBondContact NE-OD2 3.41Å; R299-D398 IonicContact NH2-OD1 3.8Å; R299-D398 IonicContact NH2-OD2 2.68Å; R299-D398 PolarHBondContact NH2-OD2 2.61Å
300	F	81.5	Confident	60.5	Low	51 Å²	51	101.5 Å²	101.5	22%	0.224	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.4	173.4	63.4	-92.1	0	0	0	111.5	C287 L289 I393 V394 V395	C287-F300 HydrophobicContact CB-CE2 4.13Å; C287-F300 HydrophobicContact CB-CZ 4.2Å; C287-F300 VanDerWaalsContact O-CZ 3.24Å; C287-F300 WeakPolarHBondContact O-CZ 3.22Å; L289-F300 HydrophobicContact CD1-CD1 4.49Å; L289-F300 HydrophobicContact CG-CD1 4.25Å; L289-F300 HydrophobicContact CG-CE1 4.21Å; F300-I393 HydrophobicContact CB-CG2 3.82Å; F300-I393 HydrophobicContact CD2-CG2 4.28Å; F300-I393 HydrophobicContact CG-CG2 4.3Å; F300-V394 CarbonylContact C-O 3.45Å; F300-V394 WeakPolarHBondContact CA-O 3.46Å; F300-V395 HydrophobicContact CB-CG2 4.32Å
301	Q	74.9	Confident	58	Low	120 Å²	120	106.5 Å²	106.5	56%	0.561	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.1	172.9	-68.2	176.7	-15.6	0	0	107.1	V394	Q301-V394 PolarHBondContact N-O 2.84Å; Q301-V394 WeakPolarHBondContact O-CB 3.44Å; Q301-V394 PolarHBondContact O-N 2.91Å
302	M	58.4	Low	55.7	Low	71 Å²	71	109.8 Å²	109.8	35%	0.35	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-95.4	134.6	158.7	-66.7	-165.3	71.8	0	0	106.9	P381	M302-P381 HydrophobicContact SD-CB 3.76Å; M302-P381 HydrophobicContact SD-CG 4.47Å
303	L	50.9	Low	53.3	Low	79 Å²	79	108 Å²	108	41%	0.414	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-79.4	126.8	173.2	-153	77.4	0	0	0	107.2	Q307 F392	L303-Q307 HydrophobicContact CD2-CB 4.23Å; L303-F392 HydrophobicContact CB-CE2 4.25Å; L303-F392 HydrophobicContact CB-CZ 4.34Å
304	D	41.5	Very low	51	Low	141 Å²	141	117.1 Å²	117.1	75%	0.754	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-68.9	153.9	170.8	-145.6	-24.1	0	0	0	109.8	D306	D304-D306 PolarHBondContact O-N 2.86Å
305	K	40.8	Very low	48.9	Very low	198 Å²	198	114 Å²	114	86%	0.861	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-12.1	-157.2	-80.4	-175.3	175	177.7	0	116.2
306	D	34.1	Very low	46.5	Very low	159 Å²	159	117.1 Å²	117.1	85%	0.85	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	17.3	-168.7	-62.2	-36	0	0	0	115.1	D304	D304-D306 PolarHBondContact O-N 2.86Å
307	Q	30.5	Very low	43.8	Very low	147 Å²	147	117 Å²	117	69%	0.687	63%	0.627	S	S	*	*	S	Bend	trans	-112.7	118.5	170.1	-69.2	-163.4	3.8	0	0	113.4	L303	L303-Q307 HydrophobicContact CD2-CB 4.23Å
308	M	26.3	Very low	40.9	Very low	190 Å²	190	122.7 Å²	122.7	94%	0.936	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-65.2	138.3	-176.2	-158	174.9	-172.4	0	0	111.8
309	C	26.8	Very low	37.8	Very low	109 Å²	109	131.6 Å²	131.6	74%	0.736	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-59.7	127	-170.4	-57.4	0	0	0	0	113.4
310	P	27.8	Very low	34.7	Very low	106 Å²	106	134.7 Å²	134.7	69%	0.688	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-67.3	135.1	164.4	28.9	-32.8	0	0	0	109.7	V312	P310-V312 PolarHBondContact O-N 3.12Å
311	V	24.4	Very low	31.7	Very low	145 Å²	145	141.4 Å²	141.4	88%	0.879	76%	0.755	S	S	*	*			trans	-71.4	95.1	-176.2	-178.3	0	0	0	0	110.4
312	V	25.4	Very low	29.1	Very low	121 Å²	121	143.7 Å²	143.7	73%	0.733	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-82.9	116.9	166.1	-177.7	0	0	0	0	108	P310 F314	P310-V312 PolarHBondContact O-N 3.12Å; V312-F314 PolarHBondContact O-N 3.28Å
313	S	23.3	Very low	27.3	Very low	94 Å²	94	145 Å²	145	66%	0.657	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-58.6	130.3	-178.3	51.3	0	0	0	0	112.3	V315	S313-V315 PolarHBondContact O-N 3.3Å
314	F	24.8	Very low	25.9	Very low	201 Å²	201	145.5 Å²	145.5	88%	0.882	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-58.8	122.7	176.8	-70.1	-92.6	0	0	0	111.4	V312 S316	V312-F314 PolarHBondContact O-N 3.28Å; F314-S316 PolarHBondContact O-N 3.38Å
315	V	23.9	Very low	24.9	Very low	141 Å²	141	146 Å²	146	86%	0.855	80%	0.8	S	S	*	*			trans	-84.6	102.8	167.2	178.7	0	0	0	0	107.7	S313	S313-V315 PolarHBondContact O-N 3.3Å
316	S	23.3	Very low	23.9	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.7	146.8	171.9	-64.4	0	0	0	0	111.3	F314	F314-S316 PolarHBondContact O-N 3.38Å
317	V	24.3	Very low	23.4	Very low	134 Å²	134	144.2 Å²	144.2	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-63.5	137.9	179.8	177.5	0	0	0	0	109.9	E319	V317-E319 PolarHBondContact O-N 2.83Å
318	P	23.3	Very low	22.8	Very low	124 Å²	124	144 Å²	144	81%	0.805	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77.1	121.8	-171.7	29.4	-35.2	0	0	0	112.6
319	E	21.7	Very low	22.6	Very low	191 Å²	191	141.8 Å²	141.8	89%	0.893	79%	0.789	S	S	*	*			trans	-105	132.1	160.6	-68.2	-152.2	124.8	0	0	111.1	V317	V317-E319 PolarHBondContact O-N 2.83Å
320	K	22.1	Very low	22.3	Very low	204 Å²	204	141.2 Å²	141.2	89%	0.887	79%	0.786	S	S	*	*			trans	6.4	128.9	171.4	-66.6	175.2	-179.6	172	0	120.1
321	E	18.6	Very low	21.9	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	79%	0.79	S	S	*	*			trans	-49.7	137.8	160.8	-56.9	165.9	136.1	0	0	112.4
322	N	20.2	Very low	21.8	Very low	169 Å²	169	142.9 Å²	142.9	90%	0.904	78%	0.783	S	S	*	*			trans	-148.2	154.2	145.3	-110.2	-20.7	0	0	0	109.1
323	S	19.8	Very low	21.5	Very low	98 Å²	98	141.4 Å²	141.4	69%	0.685	78%	0.778	S	S	*	*			trans	-71.9	160	-165.3	55.8	0	0	0	0	115.3
324	S	20.5	Very low	21.4	Very low	90 Å²	90	145.6 Å²	145.6	63%	0.629	79%	0.787	S	S	*	*			trans	53.5	128.4	142.6	58.5	0	0	0	0	118.3
325	D	22	Very low	21.3	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	79%	0.785	S	S	*	*			cis	-158.6	-177	44.6	-108	-36.9	0	0	0	114.2
326	E	19.7	Very low	21.1	Very low	166 Å²	166	144.2 Å²	144.2	78%	0.776	78%	0.781	S	S	*	*			trans	-59.4	141.2	175.6	-50.2	177.9	133.4	0	0	113.4
327	N	23.3	Very low	21	Very low	153 Å²	153	145.8 Å²	145.8	82%	0.818	78%	0.781	S	S	*	*				-167.4	161.9	108.5	-110	-77.7	0	0	0	115.5
328	I	18.4	Very low	20.9	Very low	141 Å²	141	148.6 Å²	148.6	72%	0.723	78%	0.783	S	S	*	*			trans	-101.5	159.9	-167.5	-76.7	163.8	0	0	0	111.5
329	N	20.9	Very low	20.8	Very low	145 Å²	145	148.2 Å²	148.2	78%	0.775	78%	0.778	S	S	*	*			trans	104.8	140.9	150.3	-94.1	-22	0	0	0	123.8
330	S	21.3	Very low	20.7	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	77%	0.765	S	S	*	*			trans	57.7	100.9	145.6	61.2	0	0	0	0	122.3
331	L	19.6	Very low	20.5	Very low	149 Å²	149	142.5 Å²	142.5	78%	0.78	76%	0.764	S	S	*	*				39	107.4	99.3	-160.9	93.1	0	0	0	118
332	N	21	Very low	20.5	Very low	137 Å²	137	141.2 Å²	141.2	73%	0.733	76%	0.76	S	S	*	*				176.5	148.2	113.1	-99.6	-43.6	0	0	0	117.9
333	S	20.4	Very low	20.5	Very low	90 Å²	90	138.5 Å²	138.5	63%	0.629	75%	0.754	S	S	*	*			trans	53.6	129.6	140.7	72.1	0	0	0	0	124.1
334	H	19.9	Very low	20.4	Very low	182 Å²	182	142.6 Å²	142.6	84%	0.843	76%	0.762	S	S	*	*			trans	54	128.3	141.8	-57.9	-48.6	0	0	0	121.5
335	T	23.4	Very low	20.3	Very low	135 Å²	135	144.1 Å²	144.1	83%	0.828	77%	0.773	S	S	*	*				-164.2	147	101.4	-80.3	0	0	0	0	113.5
336	K	19.8	Very low	20.3	Very low	177 Å²	177	142 Å²	142	77%	0.77	77%	0.771	S	S	*	*			trans	-52.6	152.6	-179.4	-49.3	157.4	-177.4	173.3	0	114.8
337	N	21.1	Very low	20.3	Very low	136 Å²	136	142 Å²	142	73%	0.727	78%	0.775	S	S	*	*				169.1	155.6	100.9	-91	-48.6	0	0	0	115.3
338	K	22.6	Very low	20.2	Very low	193 Å²	193	140.6 Å²	140.6	84%	0.839	77%	0.772	S	S	*	*			trans	68.9	136.5	151.1	-81.7	176.7	-178.6	-177.7	0	118.5
339	T	20	Very low	20.3	Very low	115 Å²	115	140.3 Å²	140.3	71%	0.706	77%	0.771	S	S	*	*			cis	-156.1	164.7	-5.6	-34.8	0	0	0	0	110.4
340	S	20.4	Very low	20.2	Very low	88 Å²	88	139.9 Å²	139.9	62%	0.615	77%	0.769	S	S	*	*			trans	59.8	114	156.1	42.3	0	0	0	0	118.3
341	Q	18.5	Very low	20.2	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	78%	0.78	S	S	*	*				66.6	132.1	84.9	-70.9	175.6	-35	0	0	112.7
342	M	18.4	Very low	20.3	Very low	166 Å²	166	142.9 Å²	142.9	82%	0.818	78%	0.777	S	S	*	*			cis	-162.2	151.5	28.8	-170.9	157.2	63.2	0	0	113.6
343	S	19.1	Very low	20.4	Very low	111 Å²	111	145 Å²	145	78%	0.776	79%	0.786	S	S	*	*			trans	60.3	132.9	158.9	-66.1	0	0	0	0	122.4
344	E	17.3	Very low	20.4	Very low	184 Å²	184	145.3 Å²	145.3	86%	0.86	79%	0.789	S	S	*	*			trans	-91.9	174.1	167.6	-56.5	167.6	114.8	0	0	111.8
345	S	19.3	Very low	20.6	Very low	123 Å²	123	142.8 Å²	142.8	86%	0.86	79%	0.788	S	S	*	*			trans	70.5	155.8	169.9	83.3	0	0	0	0	116
346	S	20.9	Very low	20.5	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	79%	0.785	S	S	*	*			cis	-143.3	155.2	11.5	56.8	0	0	0	0	113.6
347	L	20.9	Very low	20.6	Very low	166 Å²	166	138.7 Å²	138.7	87%	0.869	79%	0.787	S	S	*	*			trans	-62.6	156.9	161.3	-64.6	126.7	0	0	0	111
348	V	20.5	Very low	20.6	Very low	123 Å²	123	138.7 Å²	138.7	75%	0.745	80%	0.796	S	S	*	*				164.7	123.2	129.7	152.9	0	0	0	0	111.9
349	N	20.2	Very low	20.4	Very low	134 Å²	134	135.6 Å²	135.6	72%	0.717	79%	0.794	S	S	*	*			trans	33.3	143.6	145.6	-45.7	-18.9	0	0	0	120.1
350	N	20.6	Very low	20.4	Very low	137 Å²	137	136.4 Å²	136.4	73%	0.733	80%	0.803	S	S	*	*				168	167.6	51.6	-141.7	-24.2	0	0	0	112.4
351	R	20.3	Very low	20.3	Very low	239 Å²	239	142.3 Å²	142.3	90%	0.902	82%	0.817	S	S	*	*			trans	70	139.7	163.3	-62.3	178	178	-169.7	-1.1	119.3
352	G	21.8	Very low	20.5	Very low	70 Å²	70	137.2 Å²	137.2	72%	0.722	82%	0.815	S	S	*	*			trans	-166.8	-21.9	-179.2	0	0	0	0	0	120.1
353	I	22.5	Very low	20.6	Very low	180 Å²	180	137.9 Å²	137.9	92%	0.923	82%	0.816	S	S	*	*			trans	71.5	155.3	174.1	-62.8	171.9	0	0	0	115.8
354	S	21	Very low	20.7	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	82%	0.82	S	S	*	*			trans	-112.7	161.4	-176.1	-177.7	0	0	0	0	111
355	P	24.3	Very low	21	Very low	128 Å²	128	135.2 Å²	135.2	83%	0.831	82%	0.817	S	S	*	*				-148.7	168	108.2	40.2	-26.2	0	0	0	115.7
356	G	21.4	Very low	21	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	82%	0.816	S	S	*	*			trans	115.1	91	144.9	0	0	0	0	0	117.1
357	D	20.6	Very low	21.1	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	82%	0.816	S	S	*	*			trans	-51.6	144.2	176.8	-54	-65.2	0	0	0	116.7
358	C	21.8	Very low	21.1	Very low	136 Å²	136	140 Å²	140	92%	0.919	81%	0.811	S	S	*	*			trans	-157.3	94.3	135.1	-122.3	0	0	0	0	111.8
359	T	18.1	Very low	21.2	Very low	127 Å²	127	141 Å²	141	78%	0.779	81%	0.812	S	S	*	*			trans	-85.9	131	173.3	48.6	0	0	0	0	111.8
360	C	20.5	Very low	21.4	Very low	133 Å²	133	141.5 Å²	141.5	90%	0.899	81%	0.814	S	S	*	*				-170.6	149	121.8	-107.7	0	0	0	0	114.2
361	K	19.2	Very low	21.6	Very low	212 Å²	212	143.4 Å²	143.4	92%	0.922	82%	0.823	S	S	*	*			trans	-71.5	153.6	-175.3	-56.9	165	179.5	177.2	0	112.3
362	G	22	Very low	21.8	Very low	79 Å²	79	137 Å²	137	81%	0.814	81%	0.814	S	S	*	*			trans	-171.2	120	167.7	0	0	0	0	0	110.8
363	E	21.4	Very low	21.8	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	82%	0.822	S	S	*	*			trans	-91.7	154.8	-166.8	-64	169.7	128	0	0	114
364	N	20	Very low	21.8	Very low	161 Å²	161	145.4 Å²	145.4	86%	0.861	82%	0.818	S	S	*	*			trans	28.1	101.8	146.1	-58	-15.4	0	0	0	118.6
365	G	23.1	Very low	21.8	Very low	77 Å²	77	149.1 Å²	149.1	79%	0.794	83%	0.825	S	S	*	*			trans	-141	101.1	163.5	0	0	0	0	0	111.8	K367	G365-K367 PolarHBondContact O-N 2.85Å
366	E	20.3	Very low	21.8	Very low	180 Å²	180	152 Å²	152	84%	0.841	83%	0.829	S	S	*	*			trans	-74.6	118.1	169.4	-67.1	-172.6	144.2	0	0	110.7
367	K	22.2	Very low	21.9	Very low	176 Å²	176	154.5 Å²	154.5	77%	0.765	83%	0.83	S	S	*	*				159.8	143.5	126.2	-88.1	158.4	-174.4	170.9	0	112.5	G365	G365-K367 PolarHBondContact O-N 2.85Å
368	D	21.8	Very low	22.4	Very low	141 Å²	141	153.8 Å²	153.8	75%	0.754	82%	0.822	S	S	*	*			trans	20.3	105.5	147.9	-52.5	-38	0	0	0	117.8
369	N	22.7	Very low	23.1	Very low	145 Å²	145	152.1 Å²	152.1	78%	0.775	81%	0.809	S	S	*	*				-157	125.1	127.7	-106.9	-62.5	0	0	0	112.9
370	I	23.3	Very low	23.7	Very low	145 Å²	145	154 Å²	154	74%	0.744	81%	0.809	S	S	*	*			trans	41.3	96	147.3	-54.3	166.5	0	0	0	115.3	S372	I370-S372 PolarHBondContact O-N 3.39Å
371	L	25.7	Very low	25	Very low	177 Å²	177	149 Å²	149	93%	0.927	78%	0.775	S	S	*	*			trans	-50.7	111.3	160.8	-81.7	166.9	0	0	0	109.7	R373	L371-R373 PolarHBondContact O-N 2.93Å
372	S	23.1	Very low	26.4	Very low	104 Å²	104	141.8 Å²	141.8	73%	0.727	76%	0.76	S	S	*	*			trans	-62.6	129.8	-178.3	56	0	0	0	0	110	I370 K374	I370-S372 PolarHBondContact O-N 3.39Å; S372-K374 VanDerWaalsContact C-N 3.26Å; S372-K374 PolarHBondContact O-N 3.4Å
373	R	21.8	Very low	28.7	Very low	234 Å²	234	139.5 Å²	139.5	88%	0.883	74%	0.737	S	S	*	*			trans	-69	75.2	-169.9	-170	-169.9	-157.5	163	6.2	111.3	L371 Q375	L371-R373 PolarHBondContact O-N 2.93Å; R373-Q375 PolarHBondContact O-N 3.45Å
374	K	23	Very low	31.5	Very low	193 Å²	193	136.4 Å²	136.4	84%	0.839	73%	0.726	S	S	*	*			trans	-54	109.1	165.1	-84.5	-171.8	174	-178.6	0	107.8	S372 M376	S372-K374 VanDerWaalsContact C-N 3.26Å; S372-K374 PolarHBondContact O-N 3.4Å; K374-M376 PolarHBondContact O-N 2.86Å; K374-M376 VanDerWaalsContact O-N 3.16Å
375	Q	22.3	Very low	34.5	Very low	176 Å²	176	128.9 Å²	128.9	82%	0.822	69%	0.686	S	S	*	*			trans	-59	118	163	-71.2	171.3	-50.3	0	0	106.2	R373 T377	R373-Q375 PolarHBondContact O-N 3.45Å; Q375-T377 PolarHBondContact O-N 2.96Å
376	M	23.1	Very low	37.4	Very low	188 Å²	188	128.6 Å²	128.6	93%	0.926	67%	0.67	S	S	*	*			trans	-67.2	103.8	165.9	-82.8	-178.2	159.7	0	0	106.9	K374 E378	K374-M376 PolarHBondContact O-N 2.86Å; K374-M376 VanDerWaalsContact O-N 3.16Å; M376-E378 PolarHBondContact O-N 3.35Å
377	T	23.9	Very low	40.4	Very low	126 Å²	126	123.1 Å²	123.1	77%	0.773	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-55.5	129	167.5	-32.5	0	0	0	0	108.1	Q375	Q375-T377 PolarHBondContact O-N 2.96Å
378	E	31.4	Very low	43.3	Very low	139 Å²	139	117.5 Å²	117.5	65%	0.65	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-63.5	135.7	164.2	-63.7	-173.8	152	0	0	107.2	M376 E380	M376-E378 PolarHBondContact O-N 3.35Å; E378-E380 PolarHBondContact O-N 3Å
379	P	35.7	Very low	46.3	Very low	100 Å²	100	111.3 Å²	111.3	65%	0.649	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-65	121	177.9	26.6	-32.9	0	0	0	108.8	P381	P379-P381 WeakPolarHBondContact O-CD 3.25Å; P379-P381 VanDerWaalsContact O-CG 3.31Å; P379-P381 WeakPolarHBondContact O-CG 3.36Å
380	E	32.1	Very low	49.3	Very low	168 Å²	168	110.6 Å²	110.6	79%	0.785	60%	0.601	S	S	*	*			trans	-77.7	102.7	175.9	-72.4	-103.7	117.7	0	0	109.1	E378	E378-E380 PolarHBondContact O-N 3Å
381	P	46.6	Very low	52.3	Low	27 Å²	27	105.2 Å²	105.2	18%	0.175	58%	0.575	C	S	.	*			trans	-111.4	80.1	-166.7	29.6	-8.5	0	0	0	109.7	M302 P379	M302-P381 HydrophobicContact SD-CB 3.76Å; M302-P381 HydrophobicContact SD-CG 4.47Å; P379-P381 WeakPolarHBondContact O-CD 3.25Å; P379-P381 VanDerWaalsContact O-CG 3.31Å; P379-P381 WeakPolarHBondContact O-CG 3.36Å
382	G	49	Very low	55.2	Low	60 Å²	60	100 Å²	100	62%	0.619	55%	0.545	S	S	*	.			trans	-86.3	130.3	173.8	0	0	0	0	0	111.4	L284	L284-G382 CarbonylContact O-C 3.58Å; L284-G382 WeakPolarHBondContact O-CA 3.44Å
383	G	69.9	Low	58.2	Low	32 Å²	32	95 Å²	95	33%	0.33	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	125.4	-176.2	0	0	0	0	0	114.5	N283 L284 V385	N283-G383 PolarHBondContact OD1-O 3.31Å; L284-G383 PolarHBondContact N-O 2.91Å; L284-G383 PolarHBondContact O-N 2.93Å; G383-V385 PolarHBondContact O-N 2.94Å
384	L	79.7	Confident	61.3	Low	116 Å²	116	85.1 Å²	85.1	61%	0.607	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.9	174	-164.3	72.4	0	0	0	110.6	P281 N283 P386	P281-L384 HydrophobicContact CB-CD1 4.03Å; P281-L384 HydrophobicContact CB-CD2 4.25Å; P281-L384 HydrophobicContact CB-CG 4.14Å; N283-L384 HydrophobicContact CB-CD1 4.15Å; L384-P386 WeakPolarHBondContact O-CD 3.44Å
385	V	83.7	Confident	64.5	Low	3 Å²	3	76 Å²	76	2%	0.018	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	102.4	171.4	-166.7	0	0	0	0	107.9	N276 P281 Q282 G383 G389 T391	N276-V385 HydrophobicContact CB-CB 4.37Å; N276-V385 HydrophobicContact CB-CG1 3.72Å; N276-V385 PolarHBondContact ND2-O 2.8Å; P281-V385 WeakPolarHBondContact CA-O 3.48Å; Q282-V385 PolarHBondContact N-O 3.05Å; Q282-V385 WeakPolarHBondContact O-CB 3.4Å; Q282-V385 PolarHBondContact O-N 2.87Å; G383-V385 PolarHBondContact O-N 2.94Å; V385-G389 WeakPolarHBondContact CG1-O 3.44Å; V385-T391 HydrophobicContact CG2-CG2 3.7Å
386	P	85	Confident	67.7	Low	70 Å²	70	69.3 Å²	69.3	46%	0.455	41%	0.406	S	S	.	.			trans	-64.9	165.6	-178.7	28.2	-35	0	0	0	111.5	N276 L384 G388 G389	N276-P386 WeakPolarHBondContact CB-O 3.46Å; N276-P386 PolarHBondContact ND2-O 2.93Å; L384-P386 WeakPolarHBondContact O-CD 3.44Å; P386-G388 PolarHBondContact O-N 2.94Å; P386-G389 VanDerWaalsContact O-CA 3.27Å; P386-G389 WeakPolarHBondContact O-CA 3.31Å; P386-G389 PolarHBondContact O-N 3.38Å
387	P	82.6	Confident	70.9	Confident	66 Å²	66	60.3 Å²	60.3	43%	0.429	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	132.9	172.2	-26.5	37.3	0	0	0	111.4	G278 D279 G389	G278-P387 WeakPolarHBondContact O-CA 3.48Å; G278-P387 WeakPolarHBondContact O-CB 3.28Å; D279-P387 WeakPolarHBondContact O-CG 3.15Å; P387-G389 PolarHBondContact O-N 3.1Å; P387-G389 VanDerWaalsContact O-N 3.11Å
388	G	83.3	Confident	74	Confident	57 Å²	57	55.1 Å²	55.1	59%	0.588	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	0.9	-171.9	0	0	0	0	0	115	N276 P386	N276-G388 VanDerWaalsContact O-CA 3.23Å; N276-G388 WeakPolarHBondContact O-CA 3.31Å; N276-G388 PolarHBondContact O-N 2.9Å; P386-G388 PolarHBondContact O-N 2.94Å
389	G	84.7	Confident	76.6	Confident	11 Å²	11	48.6 Å²	48.6	11%	0.113	30%	0.299	C	S	.	.			trans	-75.1	150.3	-176.3	0	0	0	0	0	113.4	E275 N276 V385 P386 P387	E275-G389 WeakPolarHBondContact CA-O 3.41Å; N276-G389 PolarHBondContact N-O 3.03Å; V385-G389 WeakPolarHBondContact CG1-O 3.44Å; P386-G389 VanDerWaalsContact O-CA 3.27Å; P386-G389 WeakPolarHBondContact O-CA 3.31Å; P386-G389 PolarHBondContact O-N 3.38Å; P387-G389 PolarHBondContact O-N 3.1Å; P387-G389 VanDerWaalsContact O-N 3.11Å
390	K	85.5	Confident	78.8	Confident	131 Å²	131	48 Å²	48	57%	0.57	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.2	176.5	-71.9	176.5	174.6	177.7	0	110.5	W273 I274 E275	W273-K390 HydrophobicContact CE3-CB 4.5Å; I274-K390 WeakPolarHBondContact O-CA 2.94Å; E275-K390 HydrophobicContact CB-CG 4.13Å; E275-K390 HydrophobicContact CG-CD 4.49Å; E275-K390 HydrophobicContact CG-CG 3.9Å; E275-K390 WeakPolarHBondContact OE1-CE 3.42Å; E275-K390 IonicContact OE1-NZ 2.77Å; E275-K390 PolarHBondContact OE1-NZ 3.4Å; E275-K390 WeakPolarHBondContact OE2-CE 3.46Å; E275-K390 IonicContact OE2-NZ 3.18Å; E275-K390 PolarHBondContact OE2-NZ 2.78Å
391	T	87.1	Confident	81.1	Confident	32 Å²	32	43.5 Å²	43.5	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.1	166.4	-169.5	0	0	0	0	109.5	I274 L284 V385	I274-T391 HydrophobicContact CB-CG2 3.82Å; I274-T391 HydrophobicContact CD1-CG2 4.41Å; I274-T391 HydrophobicContact CG2-CG2 4.2Å; I274-T391 PolarHBondContact N-O 2.93Å; I274-T391 PolarHBondContact O-N 3.37Å; I274-T391 VanDerWaalsContact O-O 3.13Å; L284-T391 HydrophobicContact CD2-CG2 4.48Å; V385-T391 HydrophobicContact CG2-CG2 3.7Å
392	F	85.1	Confident	82.7	Confident	66 Å²	66	43.1 Å²	43.1	29%	0.289	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.3	-178	65.6	-92.4	0	0	0	112.5	V271 I272 W273 L303 V394	V271-F392 HydrophobicContact CG1-CB 3.72Å; V271-F392 HydrophobicContact CG1-CD2 3.92Å; V271-F392 HydrophobicContact CG1-CG 4.09Å; I272-F392 CarbonylContact O-C 3.25Å; I272-F392 VanDerWaalsContact O-CA 3.28Å; I272-F392 WeakPolarHBondContact O-CA 3.07Å; W273-F392 HydrophobicContact CD2-CB 4.05Å; W273-F392 HydrophobicContact CE3-CB 3.79Å; W273-F392 HydrophobicContact CE3-CD1 4.38Å; W273-F392 HydrophobicContact CH2-CB 4.4Å; W273-F392 AromaticContact CH2-CD1 3.93Å; W273-F392 HydrophobicContact CH2-CD1 3.93Å; W273-F392 HydrophobicContact CH2-CG 4.35Å; W273-F392 HydrophobicContact CZ3-CB 3.99Å; W273-F392 AromaticContact CZ3-CD1 3.72Å; W273-F392 HydrophobicContact CZ3-CD1 3.72Å; W273-F392 HydrophobicContact CZ3-CG 4.2Å; L303-F392 HydrophobicContact CB-CE2 4.25Å; L303-F392 HydrophobicContact CB-CZ 4.34Å; F392-V394 HydrophobicContact CD2-CG2 4.08Å; F392-V394 HydrophobicContact CE2-CG2 4.02Å
393	I	86.8	Confident	84.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.4	176.7	-57	165.3	0	0	0	107.6	I272 I274 C287 F300 V395 L411	I272-I393 PolarHBondContact N-O 2.9Å; I272-I393 PolarHBondContact O-N 2.96Å; I274-I393 HydrophobicContact CD1-CD1 3.74Å; I274-I393 HydrophobicContact CD1-CG1 4.4Å; C287-I393 HydrophobicContact CB-CD1 4.33Å; C287-I393 WeakPolarHBondContact SG-CD1 3.38Å; F300-I393 HydrophobicContact CB-CG2 3.82Å; F300-I393 HydrophobicContact CD2-CG2 4.28Å; F300-I393 HydrophobicContact CG-CG2 4.3Å; I393-V395 HydrophobicContact CG2-CG2 4.12Å; I393-L411 HydrophobicContact CD1-CD2 3.61Å
394	V	87.7	Confident	84.9	Confident	26 Å²	26	43.5 Å²	43.5	16%	0.158	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.2	174.6	-174.1	0	0	0	0	108.1	T269 V271 F300 Q301 F392	T269-V394 HydrophobicContact CG2-CG1 3.35Å; V271-V394 HydrophobicContact CG2-CG2 4.48Å; F300-V394 CarbonylContact C-O 3.45Å; F300-V394 WeakPolarHBondContact CA-O 3.46Å; Q301-V394 PolarHBondContact N-O 2.84Å; Q301-V394 WeakPolarHBondContact O-CB 3.44Å; Q301-V394 PolarHBondContact O-N 2.91Å; F392-V394 HydrophobicContact CD2-CG2 4.08Å; F392-V394 HydrophobicContact CE2-CG2 4.02Å
395	V	89	Confident	85.1	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.7	178.2	-172.8	0	0	0	0	109.3	F259 T269 M270 I272 F298 R299 F300 I393 L422	F259-V395 HydrophobicContact CE2-CG1 4.15Å; F259-V395 HydrophobicContact CZ-CB 3.98Å; F259-V395 HydrophobicContact CZ-CG1 3.73Å; T269-V395 CarbonylContact C-O 3.52Å; T269-V395 WeakPolarHBondContact CA-O 3.25Å; M270-V395 PolarHBondContact N-O 3.39Å; M270-V395 PolarHBondContact O-N 2.7Å; I272-V395 HydrophobicContact CD1-CG2 3.75Å; I272-V395 HydrophobicContact CG1-CG2 4.23Å; F298-V395 HydrophobicContact CD1-CG1 4.37Å; R299-V395 WeakPolarHBondContact O-CA 3.13Å; F300-V395 HydrophobicContact CB-CG2 4.32Å; I393-V395 HydrophobicContact CG2-CG2 4.12Å; V395-L422 HydrophobicContact CG1-CD1 3.97Å; V395-L422 HydrophobicContact CG1-CD2 4.48Å
396	I	89.5	Confident	85	Confident	35 Å²	35	41 Å²	41	18%	0.179	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.3	178.2	-54.6	172.6	0	0	0	107.8	T269 F298 R299	T269-I396 HydrophobicContact CG2-CG1 4.11Å; F298-I396 WeakPolarHBondContact CA-O 3.27Å; R299-I396 PolarHBondContact N-O 3.49Å; R299-I396 PolarHBondContact O-N 2.72Å; R299-I396 VanDerWaalsContact O-O 3.08Å
397	C	90.5	Very high	85	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.6	178.9	-171.7	0	0	0	0	110.6	F259 S267 K268 Q297 F298	F259-C397 HydrophobicContact CD1-CB 3.68Å; F259-C397 HydrophobicContact CD2-CB 4.44Å; F259-C397 HydrophobicContact CE1-CB 3.59Å; F259-C397 HydrophobicContact CE2-CB 4.37Å; F259-C397 HydrophobicContact CG-CB 4.12Å; F259-C397 HydrophobicContact CZ-CB 3.96Å; S267-C397 CarbonylContact C-O 3.56Å; S267-C397 WeakPolarHBondContact CA-O 3.47Å; K268-C397 PolarHBondContact N-O 3.05Å; K268-C397 PolarHBondContact O-N 2.93Å; Q297-C397 CarbonylContact O-C 3.57Å; Q297-C397 WeakPolarHBondContact O-CA 3.46Å; F298-C397 HydrophobicContact CD1-CB 4.01Å; F298-C397 HydrophobicContact CE1-CB 4.04Å; F298-C397 VanDerWaalsContact CE1-SG 3.53Å
398	D	88.5	Confident	85.2	Confident	16 Å²	16	35.1 Å²	35.1	9%	0.086	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.6	175.3	-55.9	-45	0	0	0	111.3	S267 Q297 R299 K400	S267-D398 WeakPolarHBondContact CB-OD1 3.45Å; S267-D398 PolarHBondContact OG-OD1 2.96Å; Q297-D398 VanDerWaalsContact CB-O 3.23Å; Q297-D398 WeakPolarHBondContact CB-O 3.39Å; Q297-D398 WeakPolarHBondContact CG-O 3.45Å; Q297-D398 PolarHBondContact NE2-O 3.36Å; Q297-D398 PolarHBondContact O-N 3.36Å; R299-D398 IonicContact CZ-OD2 3.38Å; R299-D398 IonicContact NE-OD2 3.26Å; R299-D398 PolarHBondContact NE-OD2 3.41Å; R299-D398 IonicContact NH2-OD1 3.8Å; R299-D398 IonicContact NH2-OD2 2.68Å; R299-D398 PolarHBondContact NH2-OD2 2.61Å; D398-K400 VanDerWaalsContact C-N 3.28Å; D398-K400 HydrophobicContact CB-CD 4.26Å; D398-K400 HydrophobicContact CB-CG 3.94Å; D398-K400 PolarHBondContact O-N 2.64Å; D398-K400 IonicContact OD2-NZ 3.82Å
399	G	85.8	Confident	85.4	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.021	16%	0.159	C	C	.	.			trans	-74.9	69	176.6	0	0	0	0	0	113.3	E264 G265 R266	E264-G399 CarbonylContact C-O 3.57Å; E264-G399 WeakPolarHBondContact CA-O 3.46Å; G265-G399 PolarHBondContact N-O 2.71Å; R266-G399 WeakPolarHBondContact O-CA 3.2Å; R266-G399 PolarHBondContact O-N 2.71Å
400	K	82.3	Confident	85.4	Confident	88 Å²	88	33.6 Å²	33.6	38%	0.383	16%	0.162	S	C	.	.			trans	-84.9	-36.3	-174.4	-64.7	170.5	176.2	166.8	0	115	S295 K296 Q297 D398	S295-K400 WeakPolarHBondContact O-CD 3.36Å; S295-K400 PolarHBondContact O-NZ 3.42Å; K296-K400 PolarHBondContact O-NZ 2.82Å; Q297-K400 HydrophobicContact CG-CB 4.17Å; Q297-K400 HydrophobicContact CG-CD 4.23Å; Q297-K400 HydrophobicContact CG-CG 4.45Å; D398-K400 VanDerWaalsContact C-N 3.28Å; D398-K400 HydrophobicContact CB-CD 4.26Å; D398-K400 HydrophobicContact CB-CG 3.94Å; D398-K400 PolarHBondContact O-N 2.64Å; D398-K400 IonicContact OD2-NZ 3.82Å
401	N	80.1	Confident	85.5	Confident	73 Å²	73	27.4 Å²	27.4	39%	0.39	14%	0.135	S	C	.	.	S	Bend	trans	-126.3	139.6	-177.1	-71.9	-31.2	0	0	0	108.9	S295 V426	S295-N401 VanDerWaalsContact CB-ND2 3.31Å; S295-N401 WeakPolarHBondContact CB-ND2 3.46Å; S295-N401 PolarHBondContact OG-ND2 2.74Å; N401-V426 WeakPolarHBondContact O-CB 3.43Å; N401-V426 WeakPolarHBondContact O-CG1 3.44Å; N401-V426 WeakPolarHBondContact O-CG2 3.2Å
402	P	80.7	Confident	85.4	Confident	20 Å²	20	27.4 Å²	27.4	13%	0.13	14%	0.136	C	C	.	.	S	Bend	trans	-71	155	177.6	28.9	-34.2	0	0	0	113	E431	P402-E431 WeakPolarHBondContact CB-OE1 3.33Å
403	G	81.9	Confident	85.4	Confident	5 Å²	5	24.8 Å²	24.8	5%	0.052	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.3	-174	-176.8	0	0	0	0	0	114.6	V426	G403-V426 PolarHBondContact N-O 3.26Å; G403-V426 PolarHBondContact O-N 3.33Å
404	R	83.1	Confident	84.9	Confident	94 Å²	94	28.2 Å²	28.2	36%	0.355	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.5	-176.2	-69.1	-177.2	-78.7	173.8	-3.1	111.7	V424 N425 R1002 G1003 S1004 S1091	R404-V424 CarbonylContact C-O 3.37Å; R404-V424 WeakPolarHBondContact CA-O 3.48Å; R404-N425 HydrophobicContact CG-CB 4Å; R404-N425 WeakPolarHBondContact CG-OD1 3.12Å; R404-R1002 HydrophobicContact CB-CB 4.37Å; R404-R1002 WeakPolarHBondContact CB-O 3.22Å; R404-R1002 PolarHBondContact N-O 3.02Å; R404-R1002 WeakPolarHBondContact O-CB 3.43Å; R404-R1002 WeakPolarHBondContact O-CD 3.44Å; R404-G1003 PolarHBondContact NE-O 3Å; R404-G1003 VanDerWaalsContact NE-O 3.16Å; R404-G1003 PolarHBondContact NH2-O 2.91Å; R404-S1004 PolarHBondContact NE-OG 3.09Å; R404-S1091 PolarHBondContact NH2-O 2.74Å
405	C	83.7	Confident	84.3	Confident	18 Å²	18	33.7 Å²	33.7	12%	0.122	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139	173.3	-164	0	0	0	0	110.8	F298 E423 V424	F298-C405 HydrophobicContact CE2-CB 4.2Å; C405-E423 WeakPolarHBondContact O-CA 3.43Å; C405-V424 HydrophobicContact CB-CG1 3.78Å; C405-V424 PolarHBondContact N-O 3.32Å; C405-V424 PolarHBondContact O-N 2.6Å
406	K	83.2	Confident	84	Confident	48 Å²	48	35.1 Å²	35.1	21%	0.209	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	116.3	-178.9	179.8	165.7	-176	151.4	0	110.9	Y421 L422 E423	K406-Y421 HydrophobicContact CG-CD1 4.41Å; K406-L422 WeakPolarHBondContact CA-O 3.33Å; K406-E423 HydrophobicContact CB-CG 4.26Å; K406-E423 HydrophobicContact CD-CG 4.05Å; K406-E423 WeakPolarHBondContact CD-OE1 3.36Å; K406-E423 WeakPolarHBondContact CE-OE1 3.35Å; K406-E423 HydrophobicContact CG-CG 3.94Å; K406-E423 IonicContact NZ-OE1 3.46Å; K406-E423 PolarHBondContact NZ-OE1 3.41Å
407	E	84.1	Confident	83.7	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	156.6	-179.9	-179.5	58	-87.7	0	0	109.9	L289 A290 G291 W292 D293 F298 Y421 L422	L289-E407 HydrophobicContact CB-CG 3.98Å; L289-E407 HydrophobicContact CD1-CG 4.35Å; L289-E407 HydrophobicContact CD2-CG 3.99Å; L289-E407 HydrophobicContact CG-CG 4.32Å; A290-E407 PolarHBondContact N-OE1 3.19Å; G291-E407 WeakPolarHBondContact CA-OE2 3.3Å; G291-E407 PolarHBondContact N-OE1 2.91Å; G291-E407 PolarHBondContact N-OE2 3.48Å; W292-E407 WeakPolarHBondContact CB-OE1 3.43Å; W292-E407 PolarHBondContact N-OE1 3.41Å; W292-E407 VanDerWaalsContact N-OE1 3.17Å; W292-E407 PolarHBondContact N-OE2 2.73Å; D293-E407 PolarHBondContact N-OE2 2.78Å; F298-E407 HydrophobicContact CD2-CB 3.69Å; F298-E407 HydrophobicContact CD2-CG 4.4Å; F298-E407 HydrophobicContact CE2-CB 3.93Å; F298-E407 HydrophobicContact CG-CB 4.48Å; E407-Y421 CarbonylContact O-C 3.56Å; E407-Y421 WeakPolarHBondContact O-CA 3.17Å; E407-L422 HydrophobicContact CB-CB 4.44Å; E407-L422 PolarHBondContact N-O 2.91Å; E407-L422 PolarHBondContact O-N 2.74Å
408	L	86.4	Confident	83.4	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.052	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.1	174.4	174.8	61.4	0	0	0	109.6	A290 W292 L410 Y421	A290-L408 HydrophobicContact CB-CB 3.81Å; A290-L408 HydrophobicContact CB-CD2 4.38Å; A290-L408 HydrophobicContact CB-CG 4.31Å; A290-L408 PolarHBondContact N-O 3.42Å; W292-L408 HydrophobicContact CD2-CB 4.34Å; W292-L408 HydrophobicContact CE3-CB 4.29Å; W292-L408 HydrophobicContact CH2-CB 4.14Å; W292-L408 HydrophobicContact CH2-CD2 4.08Å; W292-L408 HydrophobicContact CZ2-CB 4.15Å; W292-L408 HydrophobicContact CZ2-CD2 3.86Å; W292-L408 HydrophobicContact CZ3-CB 4.21Å; L408-L410 HydrophobicContact CD1-CD2 4.31Å; L408-L410 HydrophobicContact CD2-CD2 3.83Å; L408-L410 HydrophobicContact CG-CD2 3.79Å; L408-L410 HydrophobicContact CG-CG 4.26Å; L408-Y421 HydrophobicContact CB-CD1 4.24Å; L408-Y421 HydrophobicContact CB-CE1 4.25Å; L408-Y421 HydrophobicContact CD1-CD1 4Å; L408-Y421 HydrophobicContact CD1-CE1 3.93Å; L408-Y421 HydrophobicContact CG-CE1 4.49Å
409	L	87.8	Confident	83.3	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124	165.3	177.2	62.9	0	0	0	108.8	I272 L289 L411 G419 R420 L422	I272-L409 HydrophobicContact CD1-CD2 3.81Å; L289-L409 HydrophobicContact CD2-CB 4.25Å; L289-L409 HydrophobicContact CD2-CD1 3.95Å; L409-L411 HydrophobicContact CD1-CD2 4.35Å; L409-L411 HydrophobicContact CD2-CD2 4.27Å; L409-L411 HydrophobicContact CG-CD2 4.17Å; L409-L411 HydrophobicContact CG-CG 4.38Å; L409-G419 WeakPolarHBondContact O-CA 3.37Å; L409-R420 HydrophobicContact CB-CB 4.49Å; L409-R420 PolarHBondContact N-O 2.89Å; L409-R420 PolarHBondContact O-N 3.1Å; L409-L422 HydrophobicContact CB-CD1 4.16Å; L409-L422 HydrophobicContact CB-CD2 4.38Å; L409-L422 HydrophobicContact CB-CG 4.06Å; L409-L422 HydrophobicContact CD2-CD2 4.4Å
410	L	85.2	Confident	83.3	Confident	36 Å²	36	36.4 Å²	36.4	19%	0.188	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.4	175	-65.5	-179.7	0	0	0	109.1	C287 K288 L408 L417	C287-L410 WeakPolarHBondContact CA-O 3.2Å; K288-L410 PolarHBondContact N-O 3.27Å; K288-L410 WeakPolarHBondContact O-CB 3.37Å; K288-L410 PolarHBondContact O-N 3.09Å; L408-L410 HydrophobicContact CD1-CD2 4.31Å; L408-L410 HydrophobicContact CD2-CD2 3.83Å; L408-L410 HydrophobicContact CG-CD2 3.79Å; L408-L410 HydrophobicContact CG-CG 4.26Å; L410-L417 HydrophobicContact CB-CD1 4.14Å; L410-L417 HydrophobicContact CD2-CD1 4.29Å; L410-L417 HydrophobicContact CD2-CD2 4.19Å; L410-L417 HydrophobicContact CD2-CG 4.32Å
411	L	87.1	Confident	83.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	106	175	-59.7	173.9	0	0	0	107.5	V253 I274 L284 C287 I393 L409 F413 I418	V253-L411 HydrophobicContact CB-CD1 4.34Å; V253-L411 HydrophobicContact CG1-CD1 3.68Å; V253-L411 HydrophobicContact CG2-CD1 3.75Å; I274-L411 HydrophobicContact CD1-CD1 3.77Å; I274-L411 HydrophobicContact CD1-CD2 3.95Å; I274-L411 HydrophobicContact CD1-CG 4.45Å; I274-L411 HydrophobicContact CG1-CD1 4.19Å; L284-L411 HydrophobicContact CD1-CB 4.2Å; L284-L411 HydrophobicContact CD1-CD2 4.39Å; C287-L411 HydrophobicContact CB-CD2 4.27Å; I393-L411 HydrophobicContact CD1-CD2 3.61Å; L409-L411 HydrophobicContact CD1-CD2 4.35Å; L409-L411 HydrophobicContact CD2-CD2 4.27Å; L409-L411 HydrophobicContact CG-CD2 4.17Å; L409-L411 HydrophobicContact CG-CG 4.38Å; L411-F413 HydrophobicContact CB-CE2 3.84Å; L411-I418 HydrophobicContact CB-CB 4.45Å; L411-I418 PolarHBondContact N-O 3.12Å; L411-I418 PolarHBondContact O-N 2.72Å
412	C	85.1	Confident	83.9	Confident	32 Å²	32	32.1 Å²	32.1	22%	0.216	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107	-175.4	-58.5	0	0	0	0	109.1	V285 S286 L417	V285-C412 WeakPolarHBondContact CB-O 3.34Å; V285-C412 PolarHBondContact N-O 3.44Å; S286-C412 PolarHBondContact N-O 3.26Å; S286-C412 WeakPolarHBondContact O-CB 3.14Å; S286-C412 PolarHBondContact O-N 2.96Å; C412-L417 HydrophobicContact CB-CD1 4.45Å; C412-L417 VanDerWaalsContact SG-CD1 3.59Å
413	F	84.6	Confident	84.2	Confident	11 Å²	11	33.9 Å²	33.9	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	167.6	167.2	-61.2	-91.3	0	0	0	109.4	I251 I274 Q282 N283 L284 L411 D415 F416 I418	I251-F413 HydrophobicContact CB-CZ 4.37Å; I251-F413 HydrophobicContact CD1-CE1 4.09Å; I251-F413 HydrophobicContact CD1-CZ 4.44Å; I251-F413 HydrophobicContact CG1-CD1 4.28Å; I251-F413 HydrophobicContact CG1-CE1 3.87Å; I251-F413 HydrophobicContact CG1-CE2 4.45Å; I251-F413 HydrophobicContact CG1-CZ 3.97Å; I251-F413 HydrophobicContact CG2-CE1 4.42Å; I251-F413 HydrophobicContact CG2-CE2 4.1Å; I251-F413 HydrophobicContact CG2-CZ 3.72Å; I274-F413 HydrophobicContact CG2-CZ 4.09Å; Q282-F413 HydrophobicContact CB-CD1 4.23Å; N283-F413 WeakPolarHBondContact O-CA 3.12Å; N283-F413 WeakPolarHBondContact O-CD1 3.47Å; L284-F413 HydrophobicContact CB-CD1 4.3Å; L284-F413 HydrophobicContact CB-CE1 3.9Å; L284-F413 HydrophobicContact CD1-CD1 4.45Å; L284-F413 HydrophobicContact CD1-CE1 4Å; L284-F413 HydrophobicContact CD1-CE2 4.15Å; L284-F413 HydrophobicContact CD1-CZ 3.82Å; L284-F413 HydrophobicContact CG-CE1 4.49Å; L411-F413 HydrophobicContact CB-CE2 3.84Å; F413-D415 VanDerWaalsContact C-N 3.3Å; F413-D415 PolarHBondContact O-N 3.05Å; F413-F416 HydrophobicContact CB-CD1 4.44Å; F413-F416 HydrophobicContact CB-CD2 4.05Å; F413-F416 HydrophobicContact CB-CE1 4.13Å; F413-F416 HydrophobicContact CB-CE2 3.74Å; F413-F416 HydrophobicContact CB-CG 4.39Å; F413-F416 HydrophobicContact CB-CZ 3.77Å; F413-F416 WeakPolarHBondContact CB-O 3.11Å; F413-F416 HydrophobicContact CD1-CE2 4.45Å; F413-F416 HydrophobicContact CD1-CZ 4.36Å; F413-F416 AromaticContact CD2-CD2 3.92Å; F413-F416 HydrophobicContact CD2-CD2 3.92Å; F413-F416 AromaticContact CD2-CE2 3.38Å; F413-F416 HydrophobicContact CD2-CE2 3.38Å; F413-F416 HydrophobicContact CD2-CZ 4.08Å; F413-F416 HydrophobicContact CE2-CE2 4.12Å; F413-F416 HydrophobicContact CG-CD2 4.25Å; F413-F416 AromaticContact CG-CE2 3.59Å; F413-F416 HydrophobicContact CG-CE2 3.59Å; F413-F416 AromaticContact CG-CZ 3.8Å; F413-F416 HydrophobicContact CG-CZ 3.8Å; F413-F416 PolarHBondContact N-O 3.39Å; F413-I418 HydrophobicContact CE2-CD1 4.19Å
414	S	76.8	Confident	84.5	Confident	72 Å²	72	33.7 Å²	33.7	50%	0.503	17%	0.17	S	C	.	.	S	Bend	trans	-50.5	-47.7	-178.1	-56.6	0	0	0	0	113.2	N283	N283-S414 PolarHBondContact O-N 2.82Å
415	D	75.2	Confident	84.7	Confident	141 Å²	141	30.1 Å²	30.1	75%	0.754	16%	0.158	S	C	*	.	S	Bend	trans	-108	-10.1	-169	-48.6	-47.2	0	0	0	113.5	F413	F413-D415 VanDerWaalsContact C-N 3.3Å; F413-D415 PolarHBondContact O-N 3.05Å
416	F	82.9	Confident	84.7	Confident	33 Å²	33	29.3 Å²	29.3	15%	0.145	15%	0.152	C	C	.	.			trans	-156	157.5	-173.8	59.2	-93	0	0	0	114.5	K248 I251 F413 I418	K248-F416 HydrophobicContact CB-CB 4.23Å; K248-F416 HydrophobicContact CB-CD2 3.6Å; K248-F416 HydrophobicContact CB-CE2 4.08Å; K248-F416 HydrophobicContact CB-CG 3.87Å; K248-F416 HydrophobicContact CD-CB 4.18Å; K248-F416 VanDerWaalsContact O-CE2 3.3Å; K248-F416 WeakPolarHBondContact O-CE2 3.4Å; K248-F416 WeakPolarHBondContact O-CZ 3.36Å; I251-F416 HydrophobicContact CB-CE2 4.44Å; I251-F416 HydrophobicContact CG1-CE2 4.22Å; I251-F416 HydrophobicContact CG1-CZ 3.92Å; F413-F416 HydrophobicContact CB-CD1 4.44Å; F413-F416 HydrophobicContact CB-CD2 4.05Å; F413-F416 HydrophobicContact CB-CE1 4.13Å; F413-F416 HydrophobicContact CB-CE2 3.74Å; F413-F416 HydrophobicContact CB-CG 4.39Å; F413-F416 HydrophobicContact CB-CZ 3.77Å; F413-F416 WeakPolarHBondContact CB-O 3.11Å; F413-F416 HydrophobicContact CD1-CE2 4.45Å; F413-F416 HydrophobicContact CD1-CZ 4.36Å; F413-F416 AromaticContact CD2-CD2 3.92Å; F413-F416 HydrophobicContact CD2-CD2 3.92Å; F413-F416 AromaticContact CD2-CE2 3.38Å; F413-F416 HydrophobicContact CD2-CE2 3.38Å; F413-F416 HydrophobicContact CD2-CZ 4.08Å; F413-F416 HydrophobicContact CE2-CE2 4.12Å; F413-F416 HydrophobicContact CG-CD2 4.25Å; F413-F416 AromaticContact CG-CE2 3.59Å; F413-F416 HydrophobicContact CG-CE2 3.59Å; F413-F416 AromaticContact CG-CZ 3.8Å; F413-F416 HydrophobicContact CG-CZ 3.8Å; F413-F416 PolarHBondContact N-O 3.39Å; F416-I418 HydrophobicContact CD2-CD1 4.24Å; F416-I418 HydrophobicContact CD2-CG1 3.97Å; F416-I418 HydrophobicContact CE2-CD1 3.83Å; F416-I418 HydrophobicContact CE2-CG1 4.07Å
417	L	82.6	Confident	84.8	Confident	65 Å²	65	29.5 Å²	29.5	34%	0.34	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.8	178.9	-173.9	66.8	0	0	0	110.5	L244 K248 L410 C412	L244-L417 HydrophobicContact CD1-CD2 4.26Å; K248-L417 PolarHBondContact NZ-O 3.4Å; L410-L417 HydrophobicContact CB-CD1 4.14Å; L410-L417 HydrophobicContact CD2-CD1 4.29Å; L410-L417 HydrophobicContact CD2-CD2 4.19Å; L410-L417 HydrophobicContact CD2-CG 4.32Å; C412-L417 HydrophobicContact CB-CD1 4.45Å; C412-L417 VanDerWaalsContact SG-CD1 3.59Å
418	I	84.8	Confident	84.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.7	169.4	-63.2	178.9	0	0	0	109.2	K248 I251 V253 L411 F413 F416	K248-I418 HydrophobicContact CB-CG1 4.39Å; I251-I418 HydrophobicContact CB-CD1 3.88Å; I251-I418 HydrophobicContact CG2-CD1 3.78Å; V253-I418 HydrophobicContact CG2-CD1 4.31Å; V253-I418 HydrophobicContact CG2-CG2 4.12Å; L411-I418 HydrophobicContact CB-CB 4.45Å; L411-I418 PolarHBondContact N-O 3.12Å; L411-I418 PolarHBondContact O-N 2.72Å; F413-I418 HydrophobicContact CE2-CD1 4.19Å; F416-I418 HydrophobicContact CD2-CD1 4.24Å; F416-I418 HydrophobicContact CD2-CG1 3.97Å; F416-I418 HydrophobicContact CE2-CD1 3.83Å; F416-I418 HydrophobicContact CE2-CG1 4.07Å
419	G	85.9	Confident	84.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.3	174.5	0	0	0	0	0	112.6	L409	L409-G419 WeakPolarHBondContact O-CA 3.37Å
420	R	86.5	Confident	84.4	Confident	14 Å²	14	34 Å²	34	5%	0.053	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.1	169.9	-76	-66.2	-176.7	-88.8	5	110.7	N247 V253 T254 T257 L409	N247-R420 PolarHBondContact OD1-NH2 3.44Å; V253-R420 HydrophobicContact CB-CG 4.47Å; V253-R420 HydrophobicContact CG1-CG 3.88Å; V253-R420 PolarHBondContact O-NE 2.86Å; V253-R420 PolarHBondContact O-NH2 2.86Å; T254-R420 PolarHBondContact O-NE 3.42Å; T254-R420 VanDerWaalsContact O-NE 3.17Å; T257-R420 HydrophobicContact CG2-CB 4.41Å; L409-R420 HydrophobicContact CB-CB 4.49Å; L409-R420 PolarHBondContact N-O 2.89Å; L409-R420 PolarHBondContact O-N 3.1Å
421	Y	86.3	Confident	84.4	Confident	70 Å²	70	33.1 Å²	33.1	28%	0.275	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.1	176.1	-67.6	-55.7	0	0	0	110.9	L245 T257 W292 K406 E407 L408	L245-Y421 HydrophobicContact CD1-CE2 3.84Å; L245-Y421 HydrophobicContact CD2-CD2 4.49Å; L245-Y421 HydrophobicContact CD2-CE2 3.82Å; T257-Y421 WeakPolarHBondContact CB-O 3.32Å; T257-Y421 PolarHBondContact OG1-O 3Å; W292-Y421 AromaticContact CH2-CE1 3.82Å; W292-Y421 HydrophobicContact CH2-CE1 3.82Å; W292-Y421 HydrophobicContact CZ3-CD1 4.24Å; W292-Y421 AromaticContact CZ3-CE1 3.63Å; W292-Y421 HydrophobicContact CZ3-CE1 3.63Å; K406-Y421 HydrophobicContact CG-CD1 4.41Å; E407-Y421 CarbonylContact O-C 3.56Å; E407-Y421 WeakPolarHBondContact O-CA 3.17Å; L408-Y421 HydrophobicContact CB-CD1 4.24Å; L408-Y421 HydrophobicContact CB-CE1 4.25Å; L408-Y421 HydrophobicContact CD1-CD1 4Å; L408-Y421 HydrophobicContact CD1-CE1 3.93Å; L408-Y421 HydrophobicContact CG-CE1 4.49Å
422	L	88	Confident	84.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.5	167.2	-55.9	176.2	0	0	0	108.1	I272 L289 F298 V395 K406 E407 L409	I272-L422 HydrophobicContact CD1-CD2 3.59Å; L289-L422 HydrophobicContact CD2-CD1 3.67Å; F298-L422 HydrophobicContact CB-CD1 4.34Å; F298-L422 HydrophobicContact CD1-CB 4.04Å; F298-L422 HydrophobicContact CD1-CD1 4.09Å; F298-L422 HydrophobicContact CE1-CB 3.81Å; F298-L422 HydrophobicContact CE2-CB 4.45Å; F298-L422 HydrophobicContact CG-CB 4.45Å; F298-L422 HydrophobicContact CG-CD1 4.22Å; F298-L422 HydrophobicContact CZ-CB 4.02Å; V395-L422 HydrophobicContact CG1-CD1 3.97Å; V395-L422 HydrophobicContact CG1-CD2 4.48Å; K406-L422 WeakPolarHBondContact CA-O 3.33Å; E407-L422 HydrophobicContact CB-CB 4.44Å; E407-L422 PolarHBondContact N-O 2.91Å; E407-L422 PolarHBondContact O-N 2.74Å; L409-L422 HydrophobicContact CB-CD1 4.16Å; L409-L422 HydrophobicContact CB-CD2 4.38Å; L409-L422 HydrophobicContact CB-CG 4.06Å; L409-L422 HydrophobicContact CD2-CD2 4.4Å
423	E	86.3	Confident	83.9	Confident	57 Å²	57	40.4 Å²	40.4	27%	0.266	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.2	-177.2	-69.6	-177.1	-179.7	0	0	112.2	T257 H258 F259 C405 K406	T257-E423 PolarHBondContact O-N 2.68Å; H258-E423 CarbonylContact C-O 3.5Å; H258-E423 WeakPolarHBondContact CA-O 3.39Å; H258-E423 HydrophobicContact CB-CB 4.44Å; H258-E423 IonicContact CE1-OE2 3.98Å; H258-E423 VanDerWaalsContact ND1-CB 3.28Å; H258-E423 WeakPolarHBondContact ND1-CB 3.49Å; H258-E423 IonicContact ND1-OE2 3.21Å; H258-E423 PolarHBondContact ND1-OE2 2.63Å; F259-E423 PolarHBondContact N-O 3.29Å; C405-E423 WeakPolarHBondContact O-CA 3.43Å; K406-E423 HydrophobicContact CB-CG 4.26Å; K406-E423 HydrophobicContact CD-CG 4.05Å; K406-E423 WeakPolarHBondContact CD-OE1 3.36Å; K406-E423 WeakPolarHBondContact CE-OE1 3.35Å; K406-E423 HydrophobicContact CG-CG 3.94Å; K406-E423 IonicContact NZ-OE1 3.46Å; K406-E423 PolarHBondContact NZ-OE1 3.41Å
424	V	88.4	Confident	83.9	Confident	1 Å²	1	40 Å²	40	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.9	175.2	66.9	0	0	0	0	109.6	F259 L262 F298 R404 C405 V426	F259-V424 HydrophobicContact CB-CB 4.01Å; F259-V424 HydrophobicContact CB-CG2 3.88Å; L262-V424 HydrophobicContact CB-CG2 4.1Å; L262-V424 HydrophobicContact CD2-CG2 4.28Å; F298-V424 HydrophobicContact CE1-CB 4.48Å; F298-V424 HydrophobicContact CE1-CG1 4.38Å; F298-V424 HydrophobicContact CE2-CG1 4.36Å; F298-V424 HydrophobicContact CZ-CB 4.14Å; F298-V424 HydrophobicContact CZ-CG1 3.72Å; R404-V424 CarbonylContact C-O 3.37Å; R404-V424 WeakPolarHBondContact CA-O 3.48Å; C405-V424 HydrophobicContact CB-CG1 3.78Å; C405-V424 PolarHBondContact N-O 3.32Å; C405-V424 PolarHBondContact O-N 2.6Å; V424-V426 HydrophobicContact CG1-CG2 4.31Å; V424-V426 HydrophobicContact CG2-CG2 4.35Å
425	N	86.9	Confident	84.1	Confident	20 Å²	20	38.9 Å²	38.9	11%	0.107	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.5	168.7	-179.1	61.4	0	0	0	109.4	G260 T261 L262 R404	G260-N425 PolarHBondContact O-N 3.06Å; T261-N425 CarbonylContact C-O 3.56Å; T261-N425 VanDerWaalsContact CA-O 3.25Å; T261-N425 WeakPolarHBondContact CA-O 3.18Å; T261-N425 PolarHBondContact OG1-ND2 3.3Å; T261-N425 VanDerWaalsContact OG1-ND2 3.15Å; L262-N425 PolarHBondContact N-O 2.9Å; R404-N425 HydrophobicContact CG-CB 4Å; R404-N425 WeakPolarHBondContact CG-OD1 3.12Å
426	V	85.1	Confident	84.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.3	178.3	-175.8	0	0	0	0	109.5	L262 E264 N401 G403 V424	L262-V426 CarbonylContact O-C 3.55Å; L262-V426 VanDerWaalsContact O-CA 3.31Å; L262-V426 WeakPolarHBondContact O-CA 3.41Å; E264-V426 HydrophobicContact CB-CG1 4.17Å; N401-V426 WeakPolarHBondContact O-CB 3.43Å; N401-V426 WeakPolarHBondContact O-CG1 3.44Å; N401-V426 WeakPolarHBondContact O-CG2 3.2Å; G403-V426 PolarHBondContact N-O 3.26Å; G403-V426 PolarHBondContact O-N 3.33Å; V424-V426 HydrophobicContact CG1-CG2 4.31Å; V424-V426 HydrophobicContact CG2-CG2 4.35Å
427	I	85.3	Confident	84	Confident	53 Å²	53	43.3 Å²	43.3	27%	0.272	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.9	178.2	-58.7	-176.7	0	0	0	109.8	T261 L262 K263 E264 E431	T261-I427 HydrophobicContact CG2-CD1 3.53Å; T261-I427 HydrophobicContact CG2-CG1 3.92Å; L262-I427 PolarHBondContact O-N 2.91Å; K263-I427 WeakPolarHBondContact CA-O 3.4Å; E264-I427 PolarHBondContact N-O 3.36Å; I427-E431 HydrophobicContact CG2-CB 3.86Å
428	S	85	Confident	83.8	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.021	25%	0.246	C	C	.	.			trans	-76.6	169.2	174.9	60.4	0	0	0	0	113.1	E264 E431	E264-S428 WeakPolarHBondContact OE2-CA 3.19Å; E264-S428 WeakPolarHBondContact OE2-CB 3.47Å; S428-E431 WeakPolarHBondContact CB-OE1 3.47Å; S428-E431 PolarHBondContact N-OE1 3.35Å; S428-E431 WeakPolarHBondContact OG-CB 3.41Å; S428-E431 WeakPolarHBondContact OG-CG 3.16Å; S428-E431 PolarHBondContact OG-N 2.88Å; S428-E431 PolarHBondContact OG-OE1 3.47Å
429	G	81.6	Confident	83.4	Confident	51 Å²	51	51.1 Å²	51.1	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-67.6	-42.3	174.3	0	0	0	0	0	111.4	E431 S432	G429-E431 VanDerWaalsContact C-N 3.35Å; G429-E431 PolarHBondContact O-N 3.01Å; G429-S432 VanDerWaalsContact O-CB 3.24Å; G429-S432 WeakPolarHBondContact O-CB 3.48Å; G429-S432 PolarHBondContact O-N 2.8Å; G429-S432 VanDerWaalsContact O-N 3.08Å; G429-S432 PolarHBondContact O-OG 3.11Å
430	E	83.7	Confident	82.8	Confident	55 Å²	55	53.3 Å²	53.3	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-66.2	-33.8	-176.8	-50	95.1	106.2	0	0	112.3	S432 L433 V1021 R1025	E430-S432 PolarHBondContact O-N 3.06Å; E430-L433 WeakPolarHBondContact O-CB 3.21Å; E430-L433 PolarHBondContact O-N 2.94Å; E430-L433 VanDerWaalsContact O-N 3.08Å; E430-V1021 HydrophobicContact CB-CB 4.39Å; E430-V1021 HydrophobicContact CB-CG1 3.87Å; E430-V1021 HydrophobicContact CB-CG2 3.58Å; E430-V1021 HydrophobicContact CG-CG1 4.31Å; E430-R1025 IonicContact OE1-CZ 3Å; E430-R1025 VanDerWaalsContact OE1-CZ 3.28Å; E430-R1025 IonicContact OE1-NE 2.75Å; E430-R1025 PolarHBondContact OE1-NE 3.4Å; E430-R1025 IonicContact OE1-NH2 2.76Å; E430-R1025 PolarHBondContact OE1-NH2 3.26Å; E430-R1025 IonicContact OE2-NH2 3.88Å; E430-R1025 PolarHBondContact OE2-NH2 3.04Å
431	E	83.7	Confident	81.8	Confident	17 Å²	17	55.4 Å²	55.4	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-30.7	172.8	-83.5	171.5	-88.5	0	0	112.5	P402 I427 S428 G429 L433 I434 A435 P1017 V1021	P402-E431 WeakPolarHBondContact CB-OE1 3.33Å; I427-E431 HydrophobicContact CG2-CB 3.86Å; S428-E431 WeakPolarHBondContact CB-OE1 3.47Å; S428-E431 PolarHBondContact N-OE1 3.35Å; S428-E431 WeakPolarHBondContact OG-CB 3.41Å; S428-E431 WeakPolarHBondContact OG-CG 3.16Å; S428-E431 PolarHBondContact OG-N 2.88Å; S428-E431 PolarHBondContact OG-OE1 3.47Å; G429-E431 VanDerWaalsContact C-N 3.35Å; G429-E431 PolarHBondContact O-N 3.01Å; E431-L433 VanDerWaalsContact C-N 3.26Å; E431-L433 PolarHBondContact O-N 2.72Å; E431-I434 PolarHBondContact O-N 3.34Å; E431-A435 PolarHBondContact O-N 3.39Å; E431-A435 VanDerWaalsContact O-N 3.1Å; E431-P1017 HydrophobicContact CB-CB 4.12Å; E431-P1017 HydrophobicContact CG-CB 3.65Å; E431-V1021 HydrophobicContact CB-CG2 4.47Å; E431-V1021 HydrophobicContact CG-CB 4.46Å; E431-V1021 HydrophobicContact CG-CG2 3.8Å
432	S	81.5	Confident	80	Confident	72 Å²	72	61.7 Å²	61.7	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-69	-25.7	178.9	-53.7	0	0	0	0	112.2	G429 E430 I434	G429-S432 VanDerWaalsContact O-CB 3.24Å; G429-S432 WeakPolarHBondContact O-CB 3.48Å; G429-S432 PolarHBondContact O-N 2.8Å; G429-S432 VanDerWaalsContact O-N 3.08Å; G429-S432 PolarHBondContact O-OG 3.11Å; E430-S432 PolarHBondContact O-N 3.06Å; S432-I434 VanDerWaalsContact C-N 3.33Å
433	L	81.6	Confident	78.4	Confident	113 Å²	113	67.4 Å²	67.4	59%	0.592	36%	0.356	S	S	*	.	H	α-helix	trans	-73.2	-25.7	176.7	-56.3	176.2	0	0	0	112.7	E430 E431	E430-L433 WeakPolarHBondContact O-CB 3.21Å; E430-L433 PolarHBondContact O-N 2.94Å; E430-L433 VanDerWaalsContact O-N 3.08Å; E431-L433 VanDerWaalsContact C-N 3.26Å; E431-L433 PolarHBondContact O-N 2.72Å
434	I	83.5	Confident	76.4	Confident	1 Å²	1	74 Å²	74	1%	0.005	38%	0.384	C	S	.	.	S	Bend	trans	-115	10.5	-175.6	55.4	159.3	0	0	0	114.1	E431 S432 F1015 P1017 A1020 V1021 K1055 I1058 L1059	E431-I434 PolarHBondContact O-N 3.34Å; S432-I434 VanDerWaalsContact C-N 3.33Å; I434-F1015 WeakPolarHBondContact O-CE2 3.3Å; I434-P1017 HydrophobicContact CD1-CB 3.96Å; I434-P1017 HydrophobicContact CG1-CB 4.25Å; I434-A1020 HydrophobicContact CD1-CB 3.66Å; I434-V1021 HydrophobicContact CD1-CG2 4.33Å; I434-K1055 HydrophobicContact CB-CB 4.21Å; I434-K1055 HydrophobicContact CB-CD 3.95Å; I434-K1055 HydrophobicContact CB-CG 4.36Å; I434-K1055 HydrophobicContact CD1-CB 4.31Å; I434-K1055 HydrophobicContact CG2-CB 4.2Å; I434-K1055 HydrophobicContact CG2-CD 4.25Å; I434-K1055 WeakPolarHBondContact O-CE 3.33Å; I434-K1055 PolarHBondContact O-NZ 2.87Å; I434-I1058 HydrophobicContact CG2-CG2 4.3Å; I434-L1059 HydrophobicContact CD1-CD1 3.85Å; I434-L1059 HydrophobicContact CD1-CG 4.29Å; I434-L1059 HydrophobicContact CG1-CD2 4.47Å; I434-L1059 HydrophobicContact CG2-CD2 3.76Å; I434-L1059 HydrophobicContact CG2-CG 3.83Å
435	A	82	Confident	74.3	Confident	50 Å²	50	79.8 Å²	79.8	41%	0.413	41%	0.414	S	S	.	.	S	Bend	trans	-53.1	165.3	175.2	0	0	0	0	0	113.3	E431 R437 K1055	E431-A435 PolarHBondContact O-N 3.39Å; E431-A435 VanDerWaalsContact O-N 3.1Å; A435-R437 PolarHBondContact O-N 2.93Å; A435-K1055 PolarHBondContact O-NZ 3.31Å
436	A	78.5	Confident	72.1	Confident	54 Å²	54	88.3 Å²	88.3	45%	0.446	45%	0.45	S	S	.	.			trans	-67	115.4	178	0	0	0	0	0	110.6	E1008 F1015	A436-E1008 VanDerWaalsContact CA-OE2 3.25Å; A436-E1008 WeakPolarHBondContact CA-OE2 3.28Å; A436-E1008 HydrophobicContact CB-CB 4.14Å; A436-F1015 HydrophobicContact CB-CZ 4.08Å
437	R	77.5	Confident	69.8	Low	212 Å²	212	93 Å²	93	80%	0.8	48%	0.483	S	S	*	.	S	Bend	trans	-69.6	-36.5	179.3	-70.3	-175.1	177.4	175.8	0.2	113	A435 E1008	A435-R437 PolarHBondContact O-N 2.93Å; R437-E1008 PolarHBondContact N-OE2 2.71Å
438	E	77.6	Confident	67.8	Low	114 Å²	114	95.6 Å²	95.6	53%	0.533	51%	0.506	S	S	.	.	S	Bend	trans	-139.9	146.6	179.5	-67.5	-178.9	166.3	0	0	109.4	E1008 G1009	E438-E1008 WeakPolarHBondContact O-CA 3.5Å; E438-E1008 VanDerWaalsContact O-CB 3.3Å; E438-E1008 WeakPolarHBondContact O-CB 3.47Å; E438-G1009 PolarHBondContact O-N 3.31Å; E438-G1009 WeakPolarHBondContact OE2-CA 3.47Å
439	P	77.1	Confident	65.4	Low	115 Å²	115	104.2 Å²	104.2	75%	0.747	55%	0.546	S	S	*	.	B	Isolated β-bridge	trans	-63.6	148.1	171.3	28.5	-34.7	0	0	0	111.6	S441	P439-S441 PolarHBondContact O-N 2.92Å
440	F	73.3	Confident	63.7	Low	47 Å²	47	106.1 Å²	106.1	21%	0.206	56%	0.556	C	S	.	*			trans	-65.9	130.3	-178.7	172.2	-100	0	0	0	112.8	W442 R1007 G1009 S1011 P1012	F440-W442 AromaticContact CE1-CD1 3.94Å; F440-W442 AromaticContact CE1-CD2 3.89Å; F440-W442 HydrophobicContact CE1-CD2 3.89Å; F440-W442 AromaticContact CE1-CE2 3.7Å; F440-W442 HydrophobicContact CE1-CG 4.06Å; F440-W442 HydrophobicContact CE1-CZ2 4.21Å; F440-W442 AromaticContact CE1-NE1 3.73Å; F440-W442 AromaticContact CZ-CD2 3.78Å; F440-W442 HydrophobicContact CZ-CD2 3.78Å; F440-W442 AromaticContact CZ-CE2 3.95Å; F440-W442 AromaticContact CZ-CE3 3.99Å; F440-W442 HydrophobicContact CZ-CE3 3.99Å; F440-W442 HydrophobicContact CZ-CG 4.19Å; F440-W442 HydrophobicContact CZ-CZ2 4.32Å; F440-W442 HydrophobicContact CZ-CZ3 4.35Å; F440-R1007 HydrophobicContact CB-CB 3.79Å; F440-R1007 HydrophobicContact CD2-CB 4.05Å; F440-R1007 HydrophobicContact CG-CB 4Å; F440-G1009 CarbonylContact C-O 3.59Å; F440-G1009 VanDerWaalsContact CA-O 3.31Å; F440-G1009 WeakPolarHBondContact CA-O 3.15Å; F440-S1011 WeakPolarHBondContact CD2-O 3.41Å; F440-S1011 WeakPolarHBondContact CE2-O 3.4Å; F440-P1012 HydrophobicContact CE2-CB 4.46Å
441	S	64.5	Low	61.6	Low	59 Å²	59	110.7 Å²	110.7	41%	0.413	58%	0.582	S	S	.	*			trans	-131.2	141	175.8	60.2	0	0	0	0	112.1	P439 G1009	P439-S441 PolarHBondContact O-N 2.92Å; S441-G1009 PolarHBondContact N-O 2.79Å
442	W	49.4	Very low	59.7	Low	202 Å²	202	117 Å²	117	77%	0.765	62%	0.622	S	S	*	*			trans	-79.4	124.9	177.8	-71.6	105.5	0	0	0	111.4	F440 K444	F440-W442 AromaticContact CE1-CD1 3.94Å; F440-W442 AromaticContact CE1-CD2 3.89Å; F440-W442 HydrophobicContact CE1-CD2 3.89Å; F440-W442 AromaticContact CE1-CE2 3.7Å; F440-W442 HydrophobicContact CE1-CG 4.06Å; F440-W442 HydrophobicContact CE1-CZ2 4.21Å; F440-W442 AromaticContact CE1-NE1 3.73Å; F440-W442 AromaticContact CZ-CD2 3.78Å; F440-W442 HydrophobicContact CZ-CD2 3.78Å; F440-W442 AromaticContact CZ-CE2 3.95Å; F440-W442 AromaticContact CZ-CE3 3.99Å; F440-W442 HydrophobicContact CZ-CE3 3.99Å; F440-W442 HydrophobicContact CZ-CG 4.19Å; F440-W442 HydrophobicContact CZ-CZ2 4.32Å; F440-W442 HydrophobicContact CZ-CZ3 4.35Å; W442-K444 PolarHBondContact O-N 2.86Å
443	K	54.2	Low	58.1	Low	120 Å²	120	114.8 Å²	114.8	52%	0.522	61%	0.607	S	S	.	*			trans	-61.6	100.7	165.1	-175.5	-176.8	179.1	-172.2	0	108.5	L445 E531	K443-L445 PolarHBondContact O-N 3.32Å; K443-E531 PolarHBondContact NZ-O 3.44Å; K443-E531 IonicContact NZ-OE2 2.65Å; K443-E531 PolarHBondContact NZ-OE2 3.37Å
444	K	44.3	Very low	56.9	Low	194 Å²	194	112.2 Å²	112.2	84%	0.843	60%	0.601	S	S	*	*			trans	-61.4	121	165.6	-76.1	-174.2	178.3	179.8	0	107.5	W442 K446	W442-K444 PolarHBondContact O-N 2.86Å; K444-K446 PolarHBondContact O-N 3.01Å
445	L	44.1	Very low	55.8	Low	124 Å²	124	117.5 Å²	117.5	65%	0.649	62%	0.624	S	S	*	*			trans	-63.9	110.2	176.5	-166.4	76.1	0	0	0	108.3	K443 S447	K443-L445 PolarHBondContact O-N 3.32Å; L445-S447 PolarHBondContact O-N 3.32Å
446	K	40.5	Very low	55.6	Low	198 Å²	198	118.6 Å²	118.6	86%	0.861	63%	0.626	S	S	*	*			trans	-68.1	99.6	166.9	-77.9	-170.9	177.3	-176.3	0	107.1	K444 S448	K444-K446 PolarHBondContact O-N 3.01Å; K446-S448 PolarHBondContact O-N 3.37Å
447	S	37.3	Very low	55.3	Low	100 Å²	100	119.3 Å²	119.3	70%	0.699	63%	0.625	S	S	*	*			trans	-69.2	87.4	166.4	55	0	0	0	0	108.5	L445 Q449	L445-S447 PolarHBondContact O-N 3.32Å; S447-Q449 VanDerWaalsContact C-N 3.33Å; S447-Q449 PolarHBondContact O-N 3.49Å
448	S	42.1	Very low	55.1	Low	107 Å²	107	110.9 Å²	110.9	75%	0.748	60%	0.597	S	S	*	*			trans	-62.8	97.6	165.9	49.2	0	0	0	0	108	K446 A450	K446-S448 PolarHBondContact O-N 3.37Å; S448-A450 PolarHBondContact O-N 2.75Å
449	Q	36.5	Very low	54.6	Low	184 Å²	184	109.3 Å²	109.3	86%	0.86	60%	0.595	S	S	*	*			trans	-64.3	93.7	161.4	-72.3	-179.3	-20.3	0	0	106.3	S447 L451	S447-Q449 VanDerWaalsContact C-N 3.33Å; S447-Q449 PolarHBondContact O-N 3.49Å; Q449-L451 PolarHBondContact O-N 2.9Å
450	A	45.9	Very low	53.8	Low	90 Å²	90	104.6 Å²	104.6	74%	0.744	56%	0.564	S	S	*	*			trans	-64.4	105.9	177.3	0	0	0	0	0	107.9	S448	S448-A450 PolarHBondContact O-N 2.75Å
451	L	39	Very low	52.6	Low	151 Å²	151	107 Å²	107	79%	0.791	58%	0.583	S	S	*	*			trans	-61.4	141.6	171.3	-140.5	74.6	0	0	0	108	Q449 S453	Q449-L451 PolarHBondContact O-N 2.9Å; L451-S453 PolarHBondContact O-N 3.42Å
452	T	43.8	Very low	51.6	Low	149 Å²	149	108.7 Å²	108.7	91%	0.914	60%	0.6	S	S	*	*			trans	-82.5	67.8	-172.9	-25.2	0	0	0	0	110.8
453	S	47.9	Very low	51.2	Low	27 Å²	27	104.6 Å²	104.6	19%	0.189	59%	0.589	C	S	.	*			trans	-63.1	154.4	172.4	42.6	0	0	0	0	111.9	L451 E572 G575	L451-S453 PolarHBondContact O-N 3.42Å; S453-E572 WeakPolarHBondContact CB-OE1 3.29Å; S453-E572 PolarHBondContact OG-OE1 2.91Å; S453-G575 VanDerWaalsContact CB-O 3.3Å; S453-G575 WeakPolarHBondContact CB-O 3.48Å
454	A	55.6	Low	50.6	Low	58 Å²	58	108.2 Å²	108.2	48%	0.479	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.1	138.4	175.9	0	0	0	0	0	109.8	G575 H576 A577	A454-G575 PolarHBondContact N-O 2.83Å; A454-H576 WeakPolarHBondContact O-CA 3.42Å; A454-A577 PolarHBondContact O-N 2.89Å
455	K	61.2	Low	50.6	Low	113 Å²	113	105 Å²	105	49%	0.491	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.6	131.7	-172.9	-66.9	-179.7	173	-159.5	0	111.6	A577 E579	K455-A577 WeakPolarHBondContact CA-O 3.47Å; K455-E579 WeakPolarHBondContact CD-OE1 3.44Å; K455-E579 WeakPolarHBondContact CE-OE1 3.32Å; K455-E579 IonicContact NZ-OE1 2.69Å; K455-E579 PolarHBondContact NZ-OE1 2.76Å
456	T	76.7	Confident	50.7	Low	72 Å²	72	104 Å²	104	44%	0.442	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	119.4	163.5	-64.1	0	0	0	0	108.5	H576 A577 I578 E579	T456-H576 PolarHBondContact N-CE1 3.2Å; T456-H576 PolarHBondContact N-NE2 2.72Å; T456-H576 PolarHBondContact OG1-CE1 3.49Å; T456-H576 VanDerWaalsContact OG1-CE1 3.27Å; T456-H576 PolarHBondContact OG1-NE2 3.07Å; T456-A577 PolarHBondContact N-O 3.33Å; T456-I578 WeakPolarHBondContact O-CA 3.41Å; T456-E579 PolarHBondContact O-N 3.25Å
457	T	72.9	Confident	50.9	Low	70 Å²	70	99.6 Å²	99.6	43%	0.429	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	117.9	177.5	-50.2	0	0	0	0	110.2	V459 E579 I581	T457-V459 HydrophobicContact CG2-CG2 4.5Å; T457-E579 CarbonylContact C-O 3.45Å; T457-E579 VanDerWaalsContact CA-O 3.28Å; T457-E579 WeakPolarHBondContact CA-O 3.4Å; T457-E579 HydrophobicContact CG2-CB 4.3Å; T457-E579 WeakPolarHBondContact CG2-O 3.28Å; T457-I581 HydrophobicContact CG2-CD1 3.85Å; T457-I581 HydrophobicContact CG2-CG1 3.85Å
458	V	73.9	Confident	51.4	Low	34 Å²	34	102.5 Å²	102.5	21%	0.206	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	127.2	173.8	178.5	0	0	0	0	108.7	I578 E579 Y580 I581 N597	V458-I578 HydrophobicContact CG2-CG2 3.75Å; V458-E579 PolarHBondContact N-O 3.4Å; V458-Y580 HydrophobicContact CB-CD1 3.56Å; V458-Y580 HydrophobicContact CB-CE1 3.76Å; V458-Y580 HydrophobicContact CB-CG 4.42Å; V458-Y580 HydrophobicContact CG1-CD1 3.73Å; V458-Y580 HydrophobicContact CG1-CE1 3.87Å; V458-Y580 HydrophobicContact CG2-CD1 4.12Å; V458-Y580 HydrophobicContact CG2-CE1 3.81Å; V458-I581 PolarHBondContact O-N 2.8Å; V458-N597 HydrophobicContact CG1-CB 4.16Å; V458-N597 WeakPolarHBondContact CG1-ND2 3.3Å
459	V	66.7	Low	52.4	Low	81 Å²	81	98.4 Å²	98.4	49%	0.491	54%	0.541	S	S	.	.			trans	-109.3	142.7	-175.5	-167.4	0	0	0	0	109.8	T457 T461 I581	T457-V459 HydrophobicContact CG2-CG2 4.5Å; V459-T461 PolarHBondContact O-N 3.38Å; V459-I581 HydrophobicContact CG1-CD1 4.35Å; V459-I581 HydrophobicContact CG2-CD1 4.11Å
460	V	60.9	Low	53.3	Low	17 Å²	17	96.9 Å²	96.9	10%	0.103	53%	0.534	C	S	.	.			trans	-56.7	122	170.2	-171.8	0	0	0	0	109.6	A462 I581 Y583	V460-A462 PolarHBondContact O-N 3.09Å; V460-I581 VanDerWaalsContact CG2-O 3.25Å; V460-I581 WeakPolarHBondContact CG2-O 3.3Å; V460-Y583 HydrophobicContact CG2-CD2 4.13Å; V460-Y583 HydrophobicContact CG2-CE2 4.2Å
461	T	46.6	Very low	54	Low	98 Å²	98	94 Å²	94	60%	0.601	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	112	176.4	50.4	0	0	0	0	110.5	V459	V459-T461 PolarHBondContact O-N 3.38Å
462	A	44.8	Very low	54.9	Low	93 Å²	93	90.6 Å²	90.6	77%	0.769	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.4	81.5	172.7	0	0	0	0	0	114.9	V460 K464	V460-A462 PolarHBondContact O-N 3.09Å; A462-K464 PolarHBondContact O-N 3.43Å
463	Q	41.3	Very low	55.8	Low	116 Å²	116	86 Å²	86	54%	0.542	47%	0.466	S	S	.	.			trans	-53.9	109.3	158.6	-172.9	-172.3	33.8	0	0	107.8	R465	Q463-R465 VanDerWaalsContact C-N 3.32Å; Q463-R465 PolarHBondContact O-N 2.91Å
464	K	40.7	Very low	56.8	Low	197 Å²	197	92.3 Å²	92.3	86%	0.857	49%	0.491	S	S	*	.			trans	-55.5	104	161.1	-80.8	-177.5	176.5	175.6	0	105.8	A462 N466	A462-K464 PolarHBondContact O-N 3.43Å; K464-N466 PolarHBondContact O-N 3.5Å
465	R	43.5	Very low	57.9	Low	127 Å²	127	90.2 Å²	90.2	48%	0.479	47%	0.471	S	S	.	.			trans	-44.2	137.7	167.4	-68	179.2	175.3	-169.4	-2.6	107	Q463 S467 L471 F474	Q463-R465 VanDerWaalsContact C-N 3.32Å; Q463-R465 PolarHBondContact O-N 2.91Å; R465-S467 WeakPolarHBondContact O-CA 3.12Å; R465-S467 PolarHBondContact O-N 3.45Å; R465-L471 PolarHBondContact NH1-O 2.9Å; R465-F474 VanDerWaalsContact NH2-CE1 3.34Å
466	N	47.3	Very low	59.1	Low	103 Å²	103	87.4 Å²	87.4	55%	0.551	47%	0.465	S	S	*	.			trans	-44.8	109.8	175	-78.8	1.4	0	0	0	108.5	K464 R468 R469	K464-N466 PolarHBondContact O-N 3.5Å; N466-R468 PolarHBondContact O-N 2.96Å; N466-R469 PolarHBondContact O-N 3.13Å
467	S	44.4	Very low	59.3	Low	105 Å²	105	89.8 Å²	89.8	73%	0.734	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.1	-158.9	49.9	0	0	0	0	113.1	R465 R469	R465-S467 WeakPolarHBondContact O-CA 3.12Å; R465-S467 PolarHBondContact O-N 3.45Å; S467-R469 VanDerWaalsContact C-N 3.28Å; S467-R469 PolarHBondContact O-N 3.2Å
468	R	47.7	Very low	60.3	Low	161 Å²	161	87.6 Å²	87.6	61%	0.608	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.4	171.6	-55.3	-178.5	-178.3	178.1	0.7	114.5	N466 E829	N466-R468 PolarHBondContact O-N 2.96Å; R468-E829 HydrophobicContact CB-CB 4.26Å
469	R	62.2	Low	61.1	Low	21 Å²	21	90.3 Å²	90.3	8%	0.079	47%	0.473	C	S	.	.			trans	-124.4	69.5	-171.2	-54.4	-141.7	-172	-176.6	3.6	113.4	N466 S467 L471 N808 E829	N466-R469 PolarHBondContact O-N 3.13Å; S467-R469 VanDerWaalsContact C-N 3.28Å; S467-R469 PolarHBondContact O-N 3.2Å; R469-L471 PolarHBondContact O-N 3.18Å; R469-L471 VanDerWaalsContact O-N 3.12Å; R469-N808 PolarHBondContact NH1-O 2.96Å; R469-N808 PolarHBondContact NH2-O 2.71Å; R469-E829 WeakPolarHBondContact CD-O 3.35Å; R469-E829 WeakPolarHBondContact CG-O 3.28Å; R469-E829 IonicContact CZ-OE1 3.46Å; R469-E829 IonicContact CZ-OE2 3.47Å; R469-E829 VanDerWaalsContact CZ-OE2 3.27Å; R469-E829 IonicContact NE-OE1 3.74Å; R469-E829 IonicContact NE-OE2 2.68Å; R469-E829 PolarHBondContact NE-OE2 3.17Å; R469-E829 IonicContact NH2-OE1 3.13Å; R469-E829 PolarHBondContact NH2-OE1 3.02Å; R469-E829 IonicContact NH2-OE2 2.75Å; R469-E829 PolarHBondContact NH2-OE2 2.93Å
470	Q	55.7	Low	62.3	Low	152 Å²	152	87.3 Å²	87.3	71%	0.71	45%	0.454	S	S	*	.			trans	-75.8	93.4	172.6	-68.6	-171.4	-4.9	0	0	111.9
471	L	60.9	Low	63.9	Low	29 Å²	29	88.9 Å²	88.9	15%	0.152	47%	0.465	C	S	.	.			trans	-91.1	117.9	173.4	-59	176.9	0	0	0	110.6	R465 R469 I831 L849 Q852 I853	R465-L471 PolarHBondContact NH1-O 2.9Å; R469-L471 PolarHBondContact O-N 3.18Å; R469-L471 VanDerWaalsContact O-N 3.12Å; L471-I831 HydrophobicContact CD2-CG1 4.15Å; L471-L849 HydrophobicContact CD1-CD2 3.62Å; L471-L849 HydrophobicContact CD2-CD2 4.18Å; L471-Q852 HydrophobicContact CB-CB 4.33Å; L471-Q852 HydrophobicContact CD1-CB 4.26Å; L471-Q852 HydrophobicContact CD2-CB 4.13Å; L471-Q852 HydrophobicContact CG-CB 4.47Å; L471-I853 HydrophobicContact CD2-CG2 3.76Å
472	P	58.3	Low	65.9	Low	79 Å²	79	89.6 Å²	89.6	51%	0.513	47%	0.465	S	S	.	.			trans	-77.4	-38.6	-177.7	30.3	-37.3	0	0	0	113.8	W832 Q852	P472-W832 HydrophobicContact CG-CZ2 4.1Å; P472-Q852 WeakPolarHBondContact CD-O 3.47Å; P472-Q852 WeakPolarHBondContact CG-O 3.32Å
473	S	61.6	Low	68	Low	52 Å²	52	94.7 Å²	94.7	36%	0.364	46%	0.464	S	S	.	.	S	Bend	trans	-98.2	138.7	-178.6	83.7	0	0	0	0	112.6	Y851 Q852	S473-Y851 PolarHBondContact OG-O 2.85Å; S473-Q852 PolarHBondContact N-O 3.01Å; S473-Q852 PolarHBondContact O-NE2 3.09Å; S473-Q852 VanDerWaalsContact OG-CA 3.31Å; S473-Q852 WeakPolarHBondContact OG-CA 3.39Å; S473-Q852 PolarHBondContact OG-O 3.3Å
474	F	69.5	Low	70.4	Confident	160 Å²	160	89.7 Å²	89.7	70%	0.702	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-88	133.8	175	-67	-96.1	0	0	0	109.6	R465	R465-F474 VanDerWaalsContact NH2-CE1 3.34Å
475	L	80	Confident	72.8	Confident	14 Å²	14	82.6 Å²	82.6	7%	0.073	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-60.5	139.6	165.5	-66.7	166.4	0	0	0	109	R621 R622 F625 Q852	L475-R621 PolarHBondContact O-NH2 2.67Å; L475-R622 HydrophobicContact CD1-CG 3.57Å; L475-R622 HydrophobicContact CD2-CG 4.22Å; L475-F625 HydrophobicContact CD2-CB 4.23Å; L475-F625 HydrophobicContact CD2-CD1 4.46Å; L475-F625 HydrophobicContact CD2-CD2 4.2Å; L475-F625 HydrophobicContact CD2-CG 4.04Å; L475-Q852 HydrophobicContact CD2-CG 4.1Å; L475-Q852 HydrophobicContact CG-CG 4.06Å
476	P	84.5	Confident	75.1	Confident	54 Å²	54	82.2 Å²	82.2	35%	0.351	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-57.1	160.9	170.4	-23.1	34.7	0	0	0	112.2	Y478 R621 F625	P476-Y478 HydrophobicContact CB-CD2 4.23Å; P476-Y478 HydrophobicContact CB-CE1 4.17Å; P476-Y478 HydrophobicContact CB-CE2 3.71Å; P476-Y478 HydrophobicContact CG-CE2 4.06Å; P476-Y478 WeakPolarHBondContact CG-OH 3.46Å; P476-Y478 WeakPolarHBondContact O-CD2 3.32Å; P476-R621 PolarHBondContact O-NE 2.84Å; P476-R621 PolarHBondContact O-NH2 3.26Å; P476-F625 HydrophobicContact CG-CD2 4.11Å; P476-F625 HydrophobicContact CG-CE2 4.32Å
477	Q	82.6	Confident	77.1	Confident	122 Å²	122	77.4 Å²	77.4	57%	0.57	39%	0.385	S	S	*	.			trans	-81.6	-23.3	-170.5	-65.5	-68	5.2	0	0	114	P479 R617 R621	Q477-P479 VanDerWaalsContact C-N 3.35Å; Q477-R617 PolarHBondContact O-NH1 3.36Å; Q477-R621 VanDerWaalsContact OE1-CZ 3.23Å
478	Y	92.1	Very high	79.3	Confident	24 Å²	24	73.8 Å²	73.8	9%	0.094	36%	0.359	C	S	.	.			trans	38.3	55.9	-177.3	-57.4	-66.4	0	0	0	113.8	P476 W519 R617 R621 H624 F625 E628	P476-Y478 HydrophobicContact CB-CD2 4.23Å; P476-Y478 HydrophobicContact CB-CE1 4.17Å; P476-Y478 HydrophobicContact CB-CE2 3.71Å; P476-Y478 HydrophobicContact CG-CE2 4.06Å; P476-Y478 WeakPolarHBondContact CG-OH 3.46Å; P476-Y478 WeakPolarHBondContact O-CD2 3.32Å; Y478-W519 PolarHBondContact O-NE1 3.44Å; Y478-W519 VanDerWaalsContact O-NE1 3.13Å; Y478-R617 PolarHBondContact O-NH2 3.45Å; Y478-R621 HydrophobicContact CD2-CB 4.16Å; Y478-R621 HydrophobicContact CD2-CG 4.18Å; Y478-R621 WeakPolarHBondContact CE2-O 3.45Å; Y478-H624 HydrophobicContact CD1-CB 3.84Å; Y478-H624 HydrophobicContact CD2-CB 3.49Å; Y478-H624 VanDerWaalsContact CD2-CB 3.49Å; Y478-H624 HydrophobicContact CE1-CB 4.15Å; Y478-H624 HydrophobicContact CE2-CB 3.8Å; Y478-H624 HydrophobicContact CG-CB 3.5Å; Y478-H624 AromaticContact CG-CG 3.94Å; Y478-F625 HydrophobicContact CE2-CB 4.02Å; Y478-F625 HydrophobicContact CE2-CD2 4.48Å; Y478-F625 WeakPolarHBondContact OH-CA 3.33Å; Y478-F625 WeakPolarHBondContact OH-CD2 3.42Å; Y478-E628 HydrophobicContact CE1-CG 4.25Å; Y478-E628 VanDerWaalsContact CE1-OE2 3.24Å; Y478-E628 WeakPolarHBondContact CE1-OE2 3.43Å; Y478-E628 VanDerWaalsContact CZ-OE2 3.3Å; Y478-E628 PolarHBondContact OH-OE2 3.24Å
479	P	92.4	Very high	81.2	Confident	92 Å²	92	70.6 Å²	70.6	60%	0.597	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-60.4	140	-175.5	27.5	-35.2	0	0	0	111	Q477 P481	Q477-P479 VanDerWaalsContact C-N 3.35Å; P479-P481 WeakPolarHBondContact O-CD 3.35Å
480	I	92.1	Very high	82.5	Confident	17 Å²	17	76 Å²	76	9%	0.087	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-59.3	126.6	171.4	-68.4	159.8	0	0	0	108.4	D482 R485 W519 E522 I523	I480-D482 PolarHBondContact O-N 3.39Å; I480-R485 HydrophobicContact CG2-CB 4.05Å; I480-W519 HydrophobicContact CG1-CB 4.24Å; I480-W519 HydrophobicContact CG1-CG 4.1Å; I480-E522 HydrophobicContact CD1-CB 4.28Å; I480-E522 HydrophobicContact CD1-CG 3.97Å; I480-E522 WeakPolarHBondContact CD1-OE1 3.37Å; I480-E522 VanDerWaalsContact CG1-OE1 3.32Å; I480-E522 WeakPolarHBondContact CG1-OE1 3.26Å; I480-I523 HydrophobicContact CD1-CG1 3.85Å; I480-I523 HydrophobicContact CG1-CG1 4.39Å; I480-I523 HydrophobicContact CG2-CD1 3.76Å; I480-I523 HydrophobicContact CG2-CG1 3.85Å
481	P	92.9	Very high	84	Confident	51 Å²	51	77.6 Å²	77.6	33%	0.331	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-61.7	130.4	176.3	-24.2	33.9	0	0	0	112.2	P479 R483 L484 R485 W519	P479-P481 WeakPolarHBondContact O-CD 3.35Å; P481-R483 PolarHBondContact O-N 3.33Å; P481-R483 VanDerWaalsContact O-N 3.11Å; P481-L484 HydrophobicContact CB-CB 4.14Å; P481-L484 WeakPolarHBondContact O-CA 3.44Å; P481-L484 VanDerWaalsContact O-CB 3.32Å; P481-L484 WeakPolarHBondContact O-CB 3.44Å; P481-L484 PolarHBondContact O-N 3.05Å; P481-R485 PolarHBondContact O-N 3.34Å; P481-W519 HydrophobicContact CG-CD2 4.32Å; P481-W519 HydrophobicContact CG-CE3 3.88Å; P481-W519 HydrophobicContact CG-CH2 4Å; P481-W519 HydrophobicContact CG-CZ2 4.4Å; P481-W519 HydrophobicContact CG-CZ3 3.72Å
482	D	90	Very high	85.2	Confident	113 Å²	113	79.5 Å²	79.5	60%	0.604	39%	0.391	S	S	*	.	H	α-helix	trans	-56.6	-33.3	-177.3	-67.3	-50.5	0	0	0	113.7	I480 K486	I480-D482 PolarHBondContact O-N 3.39Å; D482-K486 WeakPolarHBondContact O-CB 3.49Å; D482-K486 VanDerWaalsContact O-CG 3.26Å; D482-K486 WeakPolarHBondContact O-CG 3.47Å; D482-K486 PolarHBondContact O-N 3.27Å
483	R	89.1	Confident	86.6	Confident	199 Å²	199	79.7 Å²	79.7	75%	0.751	39%	0.388	S	S	*	.	H	α-helix	trans	-64.4	-41.3	175.4	-64	-177.3	-179	-178.9	0.2	111.5	P481 C487 F497	P481-R483 PolarHBondContact O-N 3.33Å; P481-R483 VanDerWaalsContact O-N 3.11Å; R483-C487 VanDerWaalsContact O-CB 3.31Å; R483-C487 WeakPolarHBondContact O-CB 3.34Å; R483-C487 PolarHBondContact O-N 3.4Å; R483-F497 HydrophobicContact CB-CD1 4.42Å
484	L	91.6	Very high	87.8	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-45.3	178.3	-176.1	64.6	0	0	0	110.8	P481 C487 V488 I494 T516 W519 L520 I523	P481-L484 HydrophobicContact CB-CB 4.14Å; P481-L484 WeakPolarHBondContact O-CA 3.44Å; P481-L484 VanDerWaalsContact O-CB 3.32Å; P481-L484 WeakPolarHBondContact O-CB 3.44Å; P481-L484 PolarHBondContact O-N 3.05Å; L484-C487 WeakPolarHBondContact O-CB 3.16Å; L484-C487 PolarHBondContact O-N 3.15Å; L484-V488 WeakPolarHBondContact O-CG2 3.48Å; L484-V488 PolarHBondContact O-N 3.18Å; L484-V488 VanDerWaalsContact O-N 3.17Å; L484-I494 HydrophobicContact CD1-CD1 3.43Å; L484-I494 VanDerWaalsContact CD1-CD1 3.43Å; L484-T516 HydrophobicContact CD1-CG2 4.27Å; L484-T516 HydrophobicContact CD2-CG2 4.37Å; L484-W519 HydrophobicContact CD2-CB 3.51Å; L484-W519 HydrophobicContact CD2-CD2 4.29Å; L484-W519 HydrophobicContact CD2-CE3 3.86Å; L484-W519 HydrophobicContact CD2-CG 4.21Å; L484-L520 HydrophobicContact CD1-CD2 4.03Å; L484-L520 HydrophobicContact CD1-CG 4.45Å; L484-I523 HydrophobicContact CD2-CD1 4.34Å; L484-I523 HydrophobicContact CG-CD1 3.99Å
485	R	91.3	Very high	88.8	Confident	48 Å²	48	72.4 Å²	72.4	18%	0.181	35%	0.352	C	S	.	.	H	α-helix	trans	-56.4	-54.3	174	179	176.3	-67.8	-80.5	6.4	111.5	I480 P481 C487 V488 E489 E526	I480-R485 HydrophobicContact CG2-CB 4.05Å; P481-R485 PolarHBondContact O-N 3.34Å; R485-C487 VanDerWaalsContact C-N 3.34Å; R485-C487 PolarHBondContact O-N 3.17Å; R485-V488 PolarHBondContact O-N 3.01Å; R485-E489 WeakPolarHBondContact CD-OE1 3.45Å; R485-E489 HydrophobicContact CG-CG 4.32Å; R485-E489 WeakPolarHBondContact CG-OE1 3.29Å; R485-E489 IonicContact NH1-OE1 2.7Å; R485-E489 PolarHBondContact NH1-OE1 2.97Å; R485-E489 WeakPolarHBondContact O-CB 3.08Å; R485-E489 WeakPolarHBondContact O-CG 3.35Å; R485-E489 PolarHBondContact O-N 3.43Å; R485-E526 IonicContact CZ-OE1 2.68Å; R485-E526 IonicContact CZ-OE2 2.7Å; R485-E526 VanDerWaalsContact CZ-OE2 3.24Å; R485-E526 IonicContact NH1-OE2 3.66Å; R485-E526 PolarHBondContact NH1-OE2 3.04Å; R485-E526 VanDerWaalsContact NH2-CD 3.26Å; R485-E526 IonicContact NH2-OE1 3.08Å; R485-E526 PolarHBondContact NH2-OE1 3.01Å; R485-E526 IonicContact NH2-OE2 3.54Å; R485-E526 PolarHBondContact NH2-OE2 3.05Å
486	K	90.4	Very high	89.1	Confident	119 Å²	119	76.6 Å²	76.6	52%	0.517	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-40.6	179.6	-72.9	170.7	-178.1	175.6	0	112.4	D482 V488 E489 Q490	D482-K486 WeakPolarHBondContact O-CB 3.49Å; D482-K486 VanDerWaalsContact O-CG 3.26Å; D482-K486 WeakPolarHBondContact O-CG 3.47Å; D482-K486 PolarHBondContact O-N 3.27Å; K486-V488 PolarHBondContact O-N 2.95Å; K486-E489 PolarHBondContact O-N 3.31Å; K486-Q490 WeakPolarHBondContact O-CB 3.33Å; K486-Q490 VanDerWaalsContact O-CG 3.3Å; K486-Q490 WeakPolarHBondContact O-CG 3.29Å; K486-Q490 PolarHBondContact O-N 2.97Å
487	C	89.6	Confident	89	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.007	38%	0.379	C	S	.	.	H	α-helix	trans	-56	-48.3	174.9	-179.9	0	0	0	0	112.3	R483 L484 R485 K491 I492 F497	R483-C487 VanDerWaalsContact O-CB 3.31Å; R483-C487 WeakPolarHBondContact O-CB 3.34Å; R483-C487 PolarHBondContact O-N 3.4Å; L484-C487 WeakPolarHBondContact O-CB 3.16Å; L484-C487 PolarHBondContact O-N 3.15Å; R485-C487 VanDerWaalsContact C-N 3.34Å; R485-C487 PolarHBondContact O-N 3.17Å; C487-K491 PolarHBondContact O-N 2.93Å; C487-I492 PolarHBondContact O-N 3.22Å; C487-I492 PolarHBondContact SG-O 3.31Å; C487-I492 VanDerWaalsContact SG-O 3.39Å; C487-F497 HydrophobicContact CB-CD2 3.68Å; C487-F497 HydrophobicContact CB-CE2 3.9Å; C487-F497 HydrophobicContact CB-CG 4.17Å; C487-F497 WeakPolarHBondContact SG-CD2 3.48Å
488	V	89.9	Confident	89.4	Confident	30 Å²	30	74.8 Å²	74.8	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-70.6	-45.7	-178.7	177.1	0	0	0	0	111.3	L484 R485 K486 Q490 K491 L520 I523 M527 L907	L484-V488 WeakPolarHBondContact O-CG2 3.48Å; L484-V488 PolarHBondContact O-N 3.18Å; L484-V488 VanDerWaalsContact O-N 3.17Å; R485-V488 PolarHBondContact O-N 3.01Å; K486-V488 PolarHBondContact O-N 2.95Å; V488-Q490 VanDerWaalsContact C-N 3.34Å; V488-Q490 PolarHBondContact O-N 2.79Å; V488-K491 PolarHBondContact O-N 3.3Å; V488-K491 VanDerWaalsContact O-N 3.13Å; V488-L520 HydrophobicContact CG2-CD2 3.64Å; V488-I523 HydrophobicContact CB-CG2 4.11Å; V488-I523 HydrophobicContact CG1-CG2 3.76Å; V488-I523 HydrophobicContact CG2-CD1 4.19Å; V488-M527 HydrophobicContact CG1-SD 4.26Å; V488-L907 HydrophobicContact CG2-CD1 4.21Å
489	E	88.8	Confident	89.3	Confident	93 Å²	93	77.7 Å²	77.7	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-63.5	-37.8	-179.9	-71.5	170.4	179.1	0	0	112	R485 K486	R485-E489 WeakPolarHBondContact CD-OE1 3.45Å; R485-E489 HydrophobicContact CG-CG 4.32Å; R485-E489 WeakPolarHBondContact CG-OE1 3.29Å; R485-E489 IonicContact NH1-OE1 2.7Å; R485-E489 PolarHBondContact NH1-OE1 2.97Å; R485-E489 WeakPolarHBondContact O-CB 3.08Å; R485-E489 WeakPolarHBondContact O-CG 3.35Å; R485-E489 PolarHBondContact O-N 3.43Å; K486-E489 PolarHBondContact O-N 3.31Å
490	Q	88.9	Confident	89.2	Confident	134 Å²	134	74 Å²	74	63%	0.626	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.2	176.5	-62.6	178.6	-18.5	0	0	113.7	K486 V488 I492	K486-Q490 WeakPolarHBondContact O-CB 3.33Å; K486-Q490 VanDerWaalsContact O-CG 3.3Å; K486-Q490 WeakPolarHBondContact O-CG 3.29Å; K486-Q490 PolarHBondContact O-N 2.97Å; V488-Q490 VanDerWaalsContact C-N 3.34Å; V488-Q490 PolarHBondContact O-N 2.79Å; Q490-I492 VanDerWaalsContact C-N 3.26Å; Q490-I492 HydrophobicContact CB-CD1 4.06Å; Q490-I492 HydrophobicContact CB-CG1 3.98Å; Q490-I492 PolarHBondContact O-N 3.06Å
491	K	86.4	Confident	89.1	Confident	186 Å²	186	73.3 Å²	73.3	81%	0.809	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	34.7	-178.3	-54.5	176	-176.6	171.3	0	114.2	C487 V488	C487-K491 PolarHBondContact O-N 2.93Å; V488-K491 PolarHBondContact O-N 3.3Å; V488-K491 VanDerWaalsContact O-N 3.13Å
492	I	86.4	Confident	89	Confident	70 Å²	70	74.2 Å²	74.2	36%	0.359	37%	0.369	S	S	.	.			trans	-74.3	154	172.3	-51	167.5	0	0	0	108.5	C487 Q490 I494 F497	C487-I492 PolarHBondContact O-N 3.22Å; C487-I492 PolarHBondContact SG-O 3.31Å; C487-I492 VanDerWaalsContact SG-O 3.39Å; Q490-I492 VanDerWaalsContact C-N 3.26Å; Q490-I492 HydrophobicContact CB-CD1 4.06Å; Q490-I492 HydrophobicContact CB-CG1 3.98Å; Q490-I492 PolarHBondContact O-N 3.06Å; I492-I494 PolarHBondContact O-N 3.49Å; I492-F497 HydrophobicContact CB-CE2 4Å; I492-F497 HydrophobicContact CD1-CE2 3.92Å; I492-F497 HydrophobicContact CD1-CZ 4.14Å; I492-F497 HydrophobicContact CG2-CD2 4.41Å; I492-F497 HydrophobicContact CG2-CE2 3.72Å
493	D	87.6	Confident	89.2	Confident	82 Å²	82	73.3 Å²	73.3	44%	0.439	36%	0.361	S	S	.	.			trans	-58.1	125	171.7	167.3	43.3	0	0	0	111.1	L495 T496	D493-L495 VanDerWaalsContact C-N 3.31Å; D493-L495 PolarHBondContact O-N 3.03Å; D493-L495 PolarHBondContact OD1-N 3.19Å; D493-L495 VanDerWaalsContact OD1-N 3.07Å; D493-T496 WeakPolarHBondContact O-CB 3.39Å; D493-T496 PolarHBondContact O-N 3.32Å; D493-T496 PolarHBondContact OD2-N 3.07Å; D493-T496 PolarHBondContact OD2-OG1 3.43Å
494	I	88.1	Confident	89.3	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-67.9	-29.4	-177.8	-171.9	63.3	0	0	0	112.6	L484 I492 T496 F497 Q498 L501 L520 L907 Y911	L484-I494 HydrophobicContact CD1-CD1 3.43Å; L484-I494 VanDerWaalsContact CD1-CD1 3.43Å; I492-I494 PolarHBondContact O-N 3.49Å; I494-T496 VanDerWaalsContact C-N 3.26Å; I494-T496 PolarHBondContact O-N 2.83Å; I494-F497 PolarHBondContact O-N 3.48Å; I494-F497 VanDerWaalsContact O-N 3.15Å; I494-Q498 PolarHBondContact O-N 3.08Å; I494-L501 HydrophobicContact CG1-CD1 3.59Å; I494-L501 HydrophobicContact CG2-CD1 4.4Å; I494-L520 HydrophobicContact CD1-CD2 4.06Å; I494-L520 HydrophobicContact CG1-CD1 4.42Å; I494-L907 HydrophobicContact CG2-CD2 4.3Å; I494-Y911 HydrophobicContact CG2-CE2 3.64Å
495	L	89.7	Confident	89.4	Confident	56 Å²	56	72.4 Å²	72.4	29%	0.293	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-70.1	-25.4	179	-62.3	-178.2	0	0	0	112.5	D493 F497 L501 A502 Y911	D493-L495 VanDerWaalsContact C-N 3.31Å; D493-L495 PolarHBondContact O-N 3.03Å; D493-L495 PolarHBondContact OD1-N 3.19Å; D493-L495 VanDerWaalsContact OD1-N 3.07Å; L495-F497 PolarHBondContact O-N 2.89Å; L495-L501 HydrophobicContact CD2-CB 3.88Å; L495-A502 HydrophobicContact CD1-CB 4.27Å; L495-A502 HydrophobicContact CD2-CB 3.9Å; L495-Y911 HydrophobicContact CD2-CE1 3.81Å; L495-Y911 HydrophobicContact CG-CE1 4.49Å; L495-Y911 WeakPolarHBondContact CG-OH 3.34Å
496	T	85.7	Confident	89.4	Confident	101 Å²	101	72.8 Å²	72.8	62%	0.62	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-63.4	-29.7	171.9	-59.2	0	0	0	0	112.3	D493 I494	D493-T496 WeakPolarHBondContact O-CB 3.39Å; D493-T496 PolarHBondContact O-N 3.32Å; D493-T496 PolarHBondContact OD2-N 3.07Å; D493-T496 PolarHBondContact OD2-OG1 3.43Å; I494-T496 VanDerWaalsContact C-N 3.26Å; I494-T496 PolarHBondContact O-N 2.83Å
497	F	83.1	Confident	89.5	Confident	87 Å²	87	70 Å²	70	38%	0.382	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-27.9	179.2	-72.9	-85.1	0	0	0	114.3	R483 C487 I492 I494 L495	R483-F497 HydrophobicContact CB-CD1 4.42Å; C487-F497 HydrophobicContact CB-CD2 3.68Å; C487-F497 HydrophobicContact CB-CE2 3.9Å; C487-F497 HydrophobicContact CB-CG 4.17Å; C487-F497 WeakPolarHBondContact SG-CD2 3.48Å; I492-F497 HydrophobicContact CB-CE2 4Å; I492-F497 HydrophobicContact CD1-CE2 3.92Å; I492-F497 HydrophobicContact CD1-CZ 4.14Å; I492-F497 HydrophobicContact CG2-CD2 4.41Å; I492-F497 HydrophobicContact CG2-CE2 3.72Å; I494-F497 PolarHBondContact O-N 3.48Å; I494-F497 VanDerWaalsContact O-N 3.15Å; L495-F497 PolarHBondContact O-N 2.89Å
498	Q	90.4	Very high	89.6	Confident	52 Å²	52	75 Å²	75	24%	0.243	40%	0.4	C	S	.	.			trans	-143.4	72.6	-174.8	-168.3	68	-39.3	0	0	111.4	I494 L500 L501 T516	I494-Q498 PolarHBondContact O-N 3.08Å; Q498-L500 HydrophobicContact CG-CD1 4Å; Q498-L500 HydrophobicContact CG-CG 3.94Å; Q498-L500 PolarHBondContact O-N 2.86Å; Q498-L501 HydrophobicContact CB-CD1 4.45Å; Q498-L501 HydrophobicContact CB-CG 4.5Å; Q498-L501 HydrophobicContact CG-CD1 4.46Å; Q498-L501 HydrophobicContact CG-CG 4.11Å; Q498-L501 PolarHBondContact O-N 2.78Å; Q498-L501 VanDerWaalsContact O-N 3.17Å; Q498-T516 HydrophobicContact CG-CG2 3.8Å; Q498-T516 PolarHBondContact NE2-OG1 2.72Å
499	P	89.9	Confident	89.8	Confident	84 Å²	84	73.8 Å²	73.8	55%	0.545	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-62.7	-24.8	-173.4	24.3	-34.5	0	0	0	113.8	L501 A502	P499-L501 PolarHBondContact O-N 2.93Å; P499-A502 WeakPolarHBondContact O-CB 3.48Å; P499-A502 PolarHBondContact O-N 3.35Å
500	L	90.4	Very high	90	Very high	15 Å²	15	69.5 Å²	69.5	8%	0.079	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-58.7	-16.4	176	64.6	79.1	0	0	0	114	Q498 A502 E503 E512 K513	Q498-L500 HydrophobicContact CG-CD1 4Å; Q498-L500 HydrophobicContact CG-CG 3.94Å; Q498-L500 PolarHBondContact O-N 2.86Å; L500-A502 VanDerWaalsContact C-N 3.27Å; L500-A502 PolarHBondContact O-N 2.84Å; L500-E503 PolarHBondContact O-N 3.45Å; L500-E512 HydrophobicContact CD2-CB 3.88Å; L500-E512 WeakPolarHBondContact CD2-OE2 3.15Å; L500-K513 HydrophobicContact CD1-CB 3.95Å
501	L	91.6	Very high	90.3	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-64.7	-30.6	170.7	-70.9	-179.7	0	0	0	112.5	I494 L495 Q498 P499 K513 T516 L517 L520 Y911	I494-L501 HydrophobicContact CG1-CD1 3.59Å; I494-L501 HydrophobicContact CG2-CD1 4.4Å; L495-L501 HydrophobicContact CD2-CB 3.88Å; Q498-L501 HydrophobicContact CB-CD1 4.45Å; Q498-L501 HydrophobicContact CB-CG 4.5Å; Q498-L501 HydrophobicContact CG-CD1 4.46Å; Q498-L501 HydrophobicContact CG-CG 4.11Å; Q498-L501 PolarHBondContact O-N 2.78Å; Q498-L501 VanDerWaalsContact O-N 3.17Å; P499-L501 PolarHBondContact O-N 2.93Å; L501-K513 HydrophobicContact CD2-CG 4.37Å; L501-K513 PolarHBondContact O-NZ 3.39Å; L501-T516 HydrophobicContact CD1-CG2 4Å; L501-T516 HydrophobicContact CD2-CG2 3.89Å; L501-T516 HydrophobicContact CG-CG2 4.15Å; L501-L517 HydrophobicContact CD2-CD2 4Å; L501-L517 HydrophobicContact CD2-CG 4.33Å; L501-L520 HydrophobicContact CD1-CD1 4Å; L501-Y911 HydrophobicContact CB-CD1 3.83Å; L501-Y911 HydrophobicContact CB-CD2 4.27Å; L501-Y911 HydrophobicContact CB-CE1 4.12Å; L501-Y911 HydrophobicContact CB-CG 3.93Å; L501-Y911 HydrophobicContact CD1-CD2 3.94Å; L501-Y911 HydrophobicContact CD1-CE2 4.18Å; L501-Y911 HydrophobicContact CD1-CG 4.36Å; L501-Y911 HydrophobicContact CD2-CG 4.43Å; L501-Y911 HydrophobicContact CG-CG 4.48Å; L501-Y911 VanDerWaalsContact O-CD1 3.32Å; L501-Y911 WeakPolarHBondContact O-CD1 3.15Å
502	A	90.9	Very high	90.7	Very high	70 Å²	70	63.1 Å²	63.1	58%	0.579	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.1	176.4	0	0	0	0	0	113.7	L495 P499 L500	L495-A502 HydrophobicContact CD1-CB 4.27Å; L495-A502 HydrophobicContact CD2-CB 3.9Å; P499-A502 WeakPolarHBondContact O-CB 3.48Å; P499-A502 PolarHBondContact O-N 3.35Å; L500-A502 VanDerWaalsContact C-N 3.27Å; L500-A502 PolarHBondContact O-N 2.84Å
503	E	92.4	Very high	91.1	Very high	94 Å²	94	60.6 Å²	60.6	44%	0.439	33%	0.331	S	S	.	.	S	Bend	trans	-69.8	155	179.3	-67.2	175.4	-164.3	0	0	112.9	L500 N509 K513	L500-E503 PolarHBondContact O-N 3.45Å; E503-N509 WeakPolarHBondContact CB-ND2 3.34Å; E503-N509 PolarHBondContact OE2-ND2 3.39Å; E503-K513 PolarHBondContact O-NZ 2.81Å
504	L	91.4	Very high	91.6	Very high	158 Å²	158	57 Å²	57	83%	0.827	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-66	136.9	165.8	-65.8	176.9	0	0	0	110	N506 N509	L504-N506 PolarHBondContact O-N 2.77Å; L504-N506 PolarHBondContact O-ND2 3.24Å; L504-N509 PolarHBondContact O-ND2 2.87Å
505	L	93.5	Very high	92	Very high	35 Å²	35	57.3 Å²	57.3	18%	0.183	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-65.6	123.5	178.6	-173.9	79.4	0	0	0	110.3	Y510 K513 F514 F639	L505-Y510 HydrophobicContact CD1-CD2 3.98Å; L505-Y510 HydrophobicContact CD2-CD2 4.15Å; L505-Y510 HydrophobicContact CD2-CE2 4.11Å; L505-Y510 HydrophobicContact CG-CD2 4.17Å; L505-K513 HydrophobicContact CD1-CB 4.29Å; L505-K513 HydrophobicContact CD1-CD 4Å; L505-K513 HydrophobicContact CD1-CG 4.23Å; L505-F514 HydrophobicContact CD1-CD2 4.18Å; L505-F514 HydrophobicContact CD1-CE2 3.83Å; L505-F514 HydrophobicContact CD2-CE2 3.73Å; L505-F514 HydrophobicContact CD2-CZ 4.08Å; L505-F514 HydrophobicContact CG-CE2 4.44Å; L505-F639 HydrophobicContact CD2-CE1 4.5Å; L505-F639 HydrophobicContact CD2-CZ 4.27Å; L505-F639 HydrophobicContact CG-CE1 4.41Å; L505-F639 HydrophobicContact CG-CZ 4.11Å; L505-F639 WeakPolarHBondContact O-CE1 3.37Å
506	N	92.4	Very high	92.3	Very high	56 Å²	56	54.7 Å²	54.7	30%	0.299	30%	0.3	S	S	.	.			trans	-137.3	-176	178.7	61.6	55	0	0	0	109.2	L504 S508 N509 Y510 F639	L504-N506 PolarHBondContact O-N 2.77Å; L504-N506 PolarHBondContact O-ND2 3.24Å; N506-S508 PolarHBondContact OD1-N 2.65Å; N506-S508 PolarHBondContact OD1-OG 2.75Å; N506-N509 PolarHBondContact N-OD1 3.09Å; N506-N509 PolarHBondContact ND2-ND2 3.32Å; N506-N509 PolarHBondContact O-OD1 2.72Å; N506-N509 PolarHBondContact OD1-N 3.42Å; N506-N509 PolarHBondContact OD1-OD1 3.08Å; N506-Y510 WeakPolarHBondContact O-CB 3.41Å; N506-Y510 PolarHBondContact O-N 3.38Å; N506-F639 VanDerWaalsContact O-CZ 3.32Å; N506-F639 WeakPolarHBondContact O-CZ 3.42Å
507	M	92	Very high	92.9	Very high	61 Å²	61	49.9 Å²	49.9	30%	0.3	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-40	-177.5	-172.6	60.8	74.8	0	0	113.5	Y510 V635 L638 F639	M507-Y510 VanDerWaalsContact O-CB 3.28Å; M507-Y510 WeakPolarHBondContact O-CB 3.33Å; M507-Y510 PolarHBondContact O-N 2.64Å; M507-V635 HydrophobicContact CE-CB 4.36Å; M507-V635 HydrophobicContact CE-CG2 3.77Å; M507-V635 VanDerWaalsContact CE-N 3.32Å; M507-L638 HydrophobicContact CE-CB 4.26Å; M507-L638 HydrophobicContact CE-CD1 4.29Å; M507-L638 HydrophobicContact SD-CD1 4.3Å; M507-F639 HydrophobicContact CB-CE2 4.46Å; M507-F639 HydrophobicContact CE-CD2 3.62Å; M507-F639 HydrophobicContact CE-CE2 4.07Å; M507-F639 HydrophobicContact SD-CD2 4.42Å; M507-F639 HydrophobicContact SD-CE2 4.28Å
508	S	92	Very high	93.5	Very high	104 Å²	104	46.4 Å²	46.4	73%	0.727	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-39.9	-174.9	46.6	0	0	0	0	112.5	N506 Y510	N506-S508 PolarHBondContact OD1-N 2.65Å; N506-S508 PolarHBondContact OD1-OG 2.75Å; S508-Y510 VanDerWaalsContact C-N 3.32Å
509	N	93.5	Very high	93.9	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.032	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.4	175.3	71.6	20.1	0	0	0	113.9	E503 L504 N506 K511 E512 K513	E503-N509 WeakPolarHBondContact CB-ND2 3.34Å; E503-N509 PolarHBondContact OE2-ND2 3.39Å; L504-N509 PolarHBondContact O-ND2 2.87Å; N506-N509 PolarHBondContact N-OD1 3.09Å; N506-N509 PolarHBondContact ND2-ND2 3.32Å; N506-N509 PolarHBondContact O-OD1 2.72Å; N506-N509 PolarHBondContact OD1-N 3.42Å; N506-N509 PolarHBondContact OD1-OD1 3.08Å; N509-K511 PolarHBondContact O-N 2.95Å; N509-E512 PolarHBondContact O-N 2.87Å; N509-K513 WeakPolarHBondContact O-CB 3.42Å; N509-K513 PolarHBondContact O-N 2.8Å
510	Y	94.9	Very high	94.2	Very high	3 Å²	3	42 Å²	42	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-51.8	-59	-173.3	-166.2	-105.4	0	0	0	114	L505 N506 M507 S508 F514 L627 V630 L638 F639 E873 L877	L505-Y510 HydrophobicContact CD1-CD2 3.98Å; L505-Y510 HydrophobicContact CD2-CD2 4.15Å; L505-Y510 HydrophobicContact CD2-CE2 4.11Å; L505-Y510 HydrophobicContact CG-CD2 4.17Å; N506-Y510 WeakPolarHBondContact O-CB 3.41Å; N506-Y510 PolarHBondContact O-N 3.38Å; M507-Y510 VanDerWaalsContact O-CB 3.28Å; M507-Y510 WeakPolarHBondContact O-CB 3.33Å; M507-Y510 PolarHBondContact O-N 2.64Å; S508-Y510 VanDerWaalsContact C-N 3.32Å; Y510-F514 HydrophobicContact CD2-CD2 4.06Å; Y510-F514 AromaticContact CD2-CE2 3.98Å; Y510-F514 HydrophobicContact CD2-CE2 3.98Å; Y510-F514 HydrophobicContact CE1-CD2 4.37Å; Y510-F514 AromaticContact CE2-CD2 3.87Å; Y510-F514 HydrophobicContact CE2-CD2 3.87Å; Y510-F514 AromaticContact CE2-CE2 3.51Å; Y510-F514 HydrophobicContact CE2-CE2 3.51Å; Y510-F514 HydrophobicContact CG-CD2 4.42Å; Y510-F514 AromaticContact CZ-CE2 3.9Å; Y510-F514 PolarHBondContact O-N 2.88Å; Y510-F514 VanDerWaalsContact O-N 3.09Å; Y510-L627 HydrophobicContact CD1-CD2 4.24Å; Y510-L627 HydrophobicContact CE1-CD2 3.87Å; Y510-V630 HydrophobicContact CE1-CG1 4.15Å; Y510-L638 HydrophobicContact CD1-CD1 4.3Å; Y510-L638 HydrophobicContact CE1-CD1 3.91Å; Y510-L638 HydrophobicContact CE1-CD2 4.45Å; Y510-F639 AromaticContact CD2-CE2 3.69Å; Y510-F639 HydrophobicContact CD2-CE2 3.69Å; Y510-F639 AromaticContact CD2-CZ 3.65Å; Y510-F639 HydrophobicContact CD2-CZ 3.65Å; Y510-F639 HydrophobicContact CE2-CE2 4.04Å; Y510-F639 HydrophobicContact CE2-CZ 4.09Å; Y510-F639 HydrophobicContact CG-CE2 4.36Å; Y510-E873 VanDerWaalsContact CE2-OE1 3.25Å; Y510-E873 WeakPolarHBondContact CE2-OE1 3.4Å; Y510-E873 VanDerWaalsContact CZ-OE1 3.32Å; Y510-E873 PolarHBondContact OH-OE1 2.84Å; Y510-L877 HydrophobicContact CE1-CD1 3.65Å; Y510-L877 WeakPolarHBondContact OH-CD1 3.3Å
511	K	95	Very high	94.4	Very high	72 Å²	72	42.6 Å²	42.6	31%	0.313	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-45.9	-177.7	171.8	-178.8	169.2	174.1	0	111.5	N509 S515 E628 I631	N509-K511 PolarHBondContact O-N 2.95Å; K511-S515 WeakPolarHBondContact O-CB 3.26Å; K511-S515 PolarHBondContact O-N 3Å; K511-S515 PolarHBondContact O-OG 2.91Å; K511-E628 HydrophobicContact CD-CG 4.38Å; K511-E628 VanDerWaalsContact CE-OE1 3.23Å; K511-E628 WeakPolarHBondContact CE-OE1 3.21Å; K511-E628 IonicContact NZ-OE1 3.7Å; K511-E628 PolarHBondContact NZ-OE1 3.16Å; K511-I631 HydrophobicContact CD-CD1 4.35Å
512	E	94.1	Very high	94.5	Very high	113 Å²	113	42.6 Å²	42.6	53%	0.528	23%	0.229	S	C	.	.	H	α-helix	trans	-73.3	-41.8	-173.8	-59.5	-167.5	157.4	0	0	111.8	L500 N509 T516	L500-E512 HydrophobicContact CD2-CB 3.88Å; L500-E512 WeakPolarHBondContact CD2-OE2 3.15Å; N509-E512 PolarHBondContact O-N 2.87Å; E512-T516 WeakPolarHBondContact O-CB 3.29Å; E512-T516 PolarHBondContact O-N 3.34Å; E512-T516 PolarHBondContact O-OG1 3.37Å
513	K	95.6	Very high	94.7	Very high	17 Å²	17	39.3 Å²	39.3	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-55.5	175	-177.3	151.3	177.9	152.4	0	110.5	L500 L501 E503 L505 N509 S515 T516 L517	L500-K513 HydrophobicContact CD1-CB 3.95Å; L501-K513 HydrophobicContact CD2-CG 4.37Å; L501-K513 PolarHBondContact O-NZ 3.39Å; E503-K513 PolarHBondContact O-NZ 2.81Å; L505-K513 HydrophobicContact CD1-CB 4.29Å; L505-K513 HydrophobicContact CD1-CD 4Å; L505-K513 HydrophobicContact CD1-CG 4.23Å; N509-K513 WeakPolarHBondContact O-CB 3.42Å; N509-K513 PolarHBondContact O-N 2.8Å; K513-S515 PolarHBondContact O-N 3.12Å; K513-T516 WeakPolarHBondContact O-CB 3.22Å; K513-T516 PolarHBondContact O-N 3Å; K513-L517 HydrophobicContact CG-CD1 4.27Å; K513-L517 VanDerWaalsContact O-CG 3.3Å; K513-L517 WeakPolarHBondContact O-CG 3.38Å; K513-L517 PolarHBondContact O-N 2.82Å
514	F	97.2	Very high	94.7	Very high	8 Å²	8	39 Å²	39	4%	0.035	20%	0.197	C	C	.	.	H	α-helix	trans	-67	-33.4	179.6	-80.5	-63.2	0	0	0	113.7	L505 Y510 T516 L517 L518 L627 E873 P874 L913	L505-F514 HydrophobicContact CD1-CD2 4.18Å; L505-F514 HydrophobicContact CD1-CE2 3.83Å; L505-F514 HydrophobicContact CD2-CE2 3.73Å; L505-F514 HydrophobicContact CD2-CZ 4.08Å; L505-F514 HydrophobicContact CG-CE2 4.44Å; Y510-F514 HydrophobicContact CD2-CD2 4.06Å; Y510-F514 AromaticContact CD2-CE2 3.98Å; Y510-F514 HydrophobicContact CD2-CE2 3.98Å; Y510-F514 HydrophobicContact CE1-CD2 4.37Å; Y510-F514 AromaticContact CE2-CD2 3.87Å; Y510-F514 HydrophobicContact CE2-CD2 3.87Å; Y510-F514 AromaticContact CE2-CE2 3.51Å; Y510-F514 HydrophobicContact CE2-CE2 3.51Å; Y510-F514 HydrophobicContact CG-CD2 4.42Å; Y510-F514 AromaticContact CZ-CE2 3.9Å; Y510-F514 PolarHBondContact O-N 2.88Å; Y510-F514 VanDerWaalsContact O-N 3.09Å; F514-T516 VanDerWaalsContact C-N 3.34Å; F514-T516 PolarHBondContact O-N 2.76Å; F514-L517 HydrophobicContact CD1-CD1 3.76Å; F514-L517 HydrophobicContact CE1-CD1 4.06Å; F514-L517 PolarHBondContact O-N 3.3Å; F514-L518 WeakPolarHBondContact O-CG 3.38Å; F514-L518 PolarHBondContact O-N 2.82Å; F514-L627 HydrophobicContact CB-CD1 3.49Å; F514-L627 VanDerWaalsContact CB-CD1 3.49Å; F514-L627 HydrophobicContact CB-CD2 3.6Å; F514-L627 HydrophobicContact CB-CG 4.21Å; F514-L627 HydrophobicContact CD2-CD2 4.17Å; F514-L627 HydrophobicContact CG-CD2 4.17Å; F514-E873 HydrophobicContact CE1-CB 4.09Å; F514-E873 HydrophobicContact CE1-CG 4.34Å; F514-E873 HydrophobicContact CE2-CG 4.04Å; F514-E873 HydrophobicContact CZ-CB 3.92Å; F514-E873 VanDerWaalsContact CZ-CD 3.4Å; F514-E873 HydrophobicContact CZ-CG 3.76Å; F514-P874 HydrophobicContact CB-CG 3.92Å; F514-P874 HydrophobicContact CD1-CG 3.58Å; F514-P874 HydrophobicContact CE1-CG 4.27Å; F514-P874 HydrophobicContact CG-CG 3.86Å; F514-L913 HydrophobicContact CD1-CD1 4Å; F514-L913 HydrophobicContact CE1-CD1 4.26Å
515	S	96.6	Very high	94.7	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.063	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-40.3	172	-64.5	0	0	0	0	111.8	K511 K513 L517 L518 W519 H624	K511-S515 WeakPolarHBondContact O-CB 3.26Å; K511-S515 PolarHBondContact O-N 3Å; K511-S515 PolarHBondContact O-OG 2.91Å; K513-S515 PolarHBondContact O-N 3.12Å; S515-L517 VanDerWaalsContact C-N 3.35Å; S515-L517 PolarHBondContact O-N 3.07Å; S515-L518 PolarHBondContact O-N 2.83Å; S515-W519 PolarHBondContact O-N 3.03Å; S515-H624 PolarHBondContact O-CE1 2.93Å; S515-H624 VanDerWaalsContact O-CE1 3.3Å; S515-H624 PolarHBondContact OG-ND1 2.67Å
516	T	96.3	Very high	94.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-45.4	173	-52.9	0	0	0	0	111.1	L484 Q498 L501 E512 K513 F514 L518 W519 L520	L484-T516 HydrophobicContact CD1-CG2 4.27Å; L484-T516 HydrophobicContact CD2-CG2 4.37Å; Q498-T516 HydrophobicContact CG-CG2 3.8Å; Q498-T516 PolarHBondContact NE2-OG1 2.72Å; L501-T516 HydrophobicContact CD1-CG2 4Å; L501-T516 HydrophobicContact CD2-CG2 3.89Å; L501-T516 HydrophobicContact CG-CG2 4.15Å; E512-T516 WeakPolarHBondContact O-CB 3.29Å; E512-T516 PolarHBondContact O-N 3.34Å; E512-T516 PolarHBondContact O-OG1 3.37Å; K513-T516 WeakPolarHBondContact O-CB 3.22Å; K513-T516 PolarHBondContact O-N 3Å; F514-T516 VanDerWaalsContact C-N 3.34Å; F514-T516 PolarHBondContact O-N 2.76Å; T516-L518 PolarHBondContact O-N 2.95Å; T516-W519 PolarHBondContact O-N 3.34Å; T516-L520 HydrophobicContact CG2-CD1 4.02Å; T516-L520 HydrophobicContact CG2-CG 4.35Å; T516-L520 WeakPolarHBondContact O-CB 3.12Å; T516-L520 VanDerWaalsContact O-CG 3.29Å; T516-L520 WeakPolarHBondContact O-CG 3.36Å; T516-L520 PolarHBondContact O-N 2.86Å
517	L	97.3	Very high	94.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-40.3	179.1	-64.8	172.6	0	0	0	112.3	L501 K513 F514 S515 L520 E521 A908 L913	L501-L517 HydrophobicContact CD2-CD2 4Å; L501-L517 HydrophobicContact CD2-CG 4.33Å; K513-L517 HydrophobicContact CG-CD1 4.27Å; K513-L517 VanDerWaalsContact O-CG 3.3Å; K513-L517 WeakPolarHBondContact O-CG 3.38Å; K513-L517 PolarHBondContact O-N 2.82Å; F514-L517 HydrophobicContact CD1-CD1 3.76Å; F514-L517 HydrophobicContact CE1-CD1 4.06Å; F514-L517 PolarHBondContact O-N 3.3Å; S515-L517 VanDerWaalsContact C-N 3.35Å; S515-L517 PolarHBondContact O-N 3.07Å; L517-L520 PolarHBondContact O-N 2.85Å; L517-E521 PolarHBondContact O-N 3.19Å; L517-A908 HydrophobicContact CD2-CB 4.49Å; L517-L913 HydrophobicContact CB-CB 4.13Å; L517-L913 HydrophobicContact CB-CD1 3.96Å; L517-L913 HydrophobicContact CB-CD2 4.13Å; L517-L913 HydrophobicContact CB-CG 4.28Å; L517-L913 HydrophobicContact CD1-CB 4.25Å; L517-L913 HydrophobicContact CD1-CD1 4.43Å
518	L	97.4	Very high	94	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.068	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-47.2	174.3	-71.1	169.9	0	0	0	111.6	F514 S515 T516 L520 E521 E522 C623 L627 P874	F514-L518 WeakPolarHBondContact O-CG 3.38Å; F514-L518 PolarHBondContact O-N 2.82Å; S515-L518 PolarHBondContact O-N 2.83Å; T516-L518 PolarHBondContact O-N 2.95Å; L518-L520 VanDerWaalsContact C-N 3.29Å; L518-L520 PolarHBondContact O-N 3.21Å; L518-E521 PolarHBondContact O-N 3.34Å; L518-E522 WeakPolarHBondContact O-CB 3.41Å; L518-E522 PolarHBondContact O-N 2.77Å; L518-C623 HydrophobicContact CD1-CB 3.54Å; L518-C623 HydrophobicContact CD2-CB 3.73Å; L518-C623 HydrophobicContact CG-CB 4.31Å; L518-L627 HydrophobicContact CD1-CD1 3.59Å; L518-P874 HydrophobicContact CD1-CB 4.13Å; L518-P874 HydrophobicContact CD1-CG 4.42Å; L518-P874 HydrophobicContact CD2-CB 4.34Å; L518-P874 HydrophobicContact CD2-CG 4.44Å; L518-P874 HydrophobicContact CG-CG 4.45Å
519	W	97	Very high	93.7	Very high	40 Å²	40	27.3 Å²	27.3	15%	0.152	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-34.4	174.4	-67.4	-40.5	0	0	0	112.7	Y478 I480 P481 L484 S515 T516 E521 E522 I523 H624	Y478-W519 PolarHBondContact O-NE1 3.44Å; Y478-W519 VanDerWaalsContact O-NE1 3.13Å; I480-W519 HydrophobicContact CG1-CB 4.24Å; I480-W519 HydrophobicContact CG1-CG 4.1Å; P481-W519 HydrophobicContact CG-CD2 4.32Å; P481-W519 HydrophobicContact CG-CE3 3.88Å; P481-W519 HydrophobicContact CG-CH2 4Å; P481-W519 HydrophobicContact CG-CZ2 4.4Å; P481-W519 HydrophobicContact CG-CZ3 3.72Å; L484-W519 HydrophobicContact CD2-CB 3.51Å; L484-W519 HydrophobicContact CD2-CD2 4.29Å; L484-W519 HydrophobicContact CD2-CE3 3.86Å; L484-W519 HydrophobicContact CD2-CG 4.21Å; S515-W519 PolarHBondContact O-N 3.03Å; T516-W519 PolarHBondContact O-N 3.34Å; W519-E521 VanDerWaalsContact C-N 3.34Å; W519-E522 PolarHBondContact O-N 3.25Å; W519-I523 WeakPolarHBondContact O-CB 3.44Å; W519-I523 WeakPolarHBondContact O-CD1 3.44Å; W519-I523 WeakPolarHBondContact O-CG1 3.44Å; W519-I523 PolarHBondContact O-N 3.36Å; W519-H624 AromaticContact CD1-CE1 3.67Å; W519-H624 AromaticContact CD1-NE2 3.43Å; W519-H624 AromaticContact CD2-CE1 3.88Å; W519-H624 AromaticContact CE2-CE1 3.44Å; W519-H624 VanDerWaalsContact CE2-CE1 3.44Å; W519-H624 AromaticContact CE2-NE2 3.93Å; W519-H624 AromaticContact CZ2-CE1 3.91Å; W519-H624 AromaticContact NE1-CE1 3.33Å; W519-H624 PolarHBondContact NE1-CE1 3.24Å; W519-H624 VanDerWaalsContact NE1-CE1 3.33Å; W519-H624 AromaticContact NE1-NE2 3.32Å; W519-H624 PolarHBondContact NE1-NE2 3.23Å
520	L	96	Very high	93.4	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-69.3	-27.9	175.6	-75.2	172.7	0	0	0	113.4	L484 V488 I494 L501 T516 L517 L518 S905 L907 A908	L484-L520 HydrophobicContact CD1-CD2 4.03Å; L484-L520 HydrophobicContact CD1-CG 4.45Å; V488-L520 HydrophobicContact CG2-CD2 3.64Å; I494-L520 HydrophobicContact CD1-CD2 4.06Å; I494-L520 HydrophobicContact CG1-CD1 4.42Å; L501-L520 HydrophobicContact CD1-CD1 4Å; T516-L520 HydrophobicContact CG2-CD1 4.02Å; T516-L520 HydrophobicContact CG2-CG 4.35Å; T516-L520 WeakPolarHBondContact O-CB 3.12Å; T516-L520 VanDerWaalsContact O-CG 3.29Å; T516-L520 WeakPolarHBondContact O-CG 3.36Å; T516-L520 PolarHBondContact O-N 2.86Å; L517-L520 PolarHBondContact O-N 2.85Å; L518-L520 VanDerWaalsContact C-N 3.29Å; L518-L520 PolarHBondContact O-N 3.21Å; L520-S905 WeakPolarHBondContact O-CB 3.33Å; L520-S905 PolarHBondContact O-OG 2.79Å; L520-L907 HydrophobicContact CD1-CB 4.12Å; L520-L907 HydrophobicContact CD2-CB 4.31Å; L520-L907 HydrophobicContact CD2-CD1 3.95Å; L520-A908 HydrophobicContact CB-CB 4.21Å
521	E	95.8	Very high	92.8	Very high	29 Å²	29	35.9 Å²	35.9	14%	0.136	16%	0.164	C	C	.	.	H	α-helix	trans	-77.2	-41	168.7	-173.8	64.6	-171	0	0	111.1	L517 L518 W519 Y524 A525 I903 K904 S905 L913	L517-E521 PolarHBondContact O-N 3.19Å; L518-E521 PolarHBondContact O-N 3.34Å; W519-E521 VanDerWaalsContact C-N 3.34Å; E521-Y524 WeakPolarHBondContact O-CB 3.16Å; E521-Y524 PolarHBondContact O-N 3.05Å; E521-A525 WeakPolarHBondContact O-CB 3.46Å; E521-A525 PolarHBondContact O-N 3.15Å; E521-I903 WeakPolarHBondContact OE2-CG2 3.45Å; E521-K904 WeakPolarHBondContact OE1-CB 3.22Å; E521-K904 PolarHBondContact OE1-N 2.82Å; E521-K904 PolarHBondContact OE2-N 3.43Å; E521-K904 VanDerWaalsContact OE2-N 3.15Å; E521-S905 WeakPolarHBondContact OE2-CA 3.21Å; E521-S905 WeakPolarHBondContact OE2-CB 3.37Å; E521-S905 PolarHBondContact OE2-N 3.48Å; E521-L913 HydrophobicContact CB-CD2 4.19Å
522	E	94.4	Very high	92.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-44.3	-179.6	-167.7	174	101.9	0	0	112.7	I480 L518 W519 Y524 A525 E526 Y615 R617 S620	I480-E522 HydrophobicContact CD1-CB 4.28Å; I480-E522 HydrophobicContact CD1-CG 3.97Å; I480-E522 WeakPolarHBondContact CD1-OE1 3.37Å; I480-E522 VanDerWaalsContact CG1-OE1 3.32Å; I480-E522 WeakPolarHBondContact CG1-OE1 3.26Å; L518-E522 WeakPolarHBondContact O-CB 3.41Å; L518-E522 PolarHBondContact O-N 2.77Å; W519-E522 PolarHBondContact O-N 3.25Å; E522-Y524 VanDerWaalsContact C-N 3.29Å; E522-Y524 PolarHBondContact O-N 2.83Å; E522-A525 PolarHBondContact O-N 2.85Å; E522-E526 PolarHBondContact O-N 3.41Å; E522-Y615 HydrophobicContact CG-CD1 3.89Å; E522-Y615 HydrophobicContact CG-CE1 3.8Å; E522-R617 IonicContact OE1-CZ 3.55Å; E522-R617 IonicContact OE1-NE 3.46Å; E522-R617 PolarHBondContact OE1-NE 3.07Å; E522-R617 IonicContact OE1-NH2 2.9Å; E522-R617 PolarHBondContact OE1-NH2 2.81Å; E522-R617 IonicContact OE2-CZ 3.87Å; E522-R617 IonicContact OE2-NE 2.77Å; E522-R617 IonicContact OE2-NH2 3.71Å; E522-S620 WeakPolarHBondContact OE2-CB 3.03Å; E522-S620 PolarHBondContact OE2-OG 3.01Å
523	I	94.2	Very high	92	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-42.7	172.4	-65.9	159.8	0	0	0	110.1	I480 L484 V488 W519 E526 M527	I480-I523 HydrophobicContact CD1-CG1 3.85Å; I480-I523 HydrophobicContact CG1-CG1 4.39Å; I480-I523 HydrophobicContact CG2-CD1 3.76Å; I480-I523 HydrophobicContact CG2-CG1 3.85Å; L484-I523 HydrophobicContact CD2-CD1 4.34Å; L484-I523 HydrophobicContact CG-CD1 3.99Å; V488-I523 HydrophobicContact CB-CG2 4.11Å; V488-I523 HydrophobicContact CG1-CG2 3.76Å; V488-I523 HydrophobicContact CG2-CD1 4.19Å; W519-I523 WeakPolarHBondContact O-CB 3.44Å; W519-I523 WeakPolarHBondContact O-CD1 3.44Å; W519-I523 WeakPolarHBondContact O-CG1 3.44Å; W519-I523 PolarHBondContact O-N 3.36Å; I523-E526 PolarHBondContact O-N 2.97Å; I523-M527 HydrophobicContact CG2-CG 4.45Å; I523-M527 HydrophobicContact CG2-SD 3.95Å; I523-M527 WeakPolarHBondContact O-CB 3.45Å; I523-M527 VanDerWaalsContact O-CG 3.25Å; I523-M527 WeakPolarHBondContact O-CG 3.37Å; I523-M527 PolarHBondContact O-N 3.45Å
524	Y	92.4	Very high	91.6	Very high	89 Å²	89	33.2 Å²	33.2	35%	0.349	15%	0.153	S	C	.	.	H	α-helix	trans	-65.7	-41.4	178.1	-174.5	-85.4	0	0	0	111.8	E521 E522 M527 E528 K904	E521-Y524 WeakPolarHBondContact O-CB 3.16Å; E521-Y524 PolarHBondContact O-N 3.05Å; E522-Y524 VanDerWaalsContact C-N 3.29Å; E522-Y524 PolarHBondContact O-N 2.83Å; Y524-M527 PolarHBondContact O-N 3.18Å; Y524-E528 HydrophobicContact CE1-CB 4.25Å; Y524-E528 PolarHBondContact O-N 3.45Å; Y524-K904 HydrophobicContact CD1-CB 3.53Å; Y524-K904 HydrophobicContact CD1-CD 4.35Å; Y524-K904 HydrophobicContact CE1-CB 3.45Å; Y524-K904 VanDerWaalsContact CE1-CB 3.45Å; Y524-K904 HydrophobicContact CE1-CD 4.18Å; Y524-K904 HydrophobicContact CE1-CG 4.46Å
525	A	90.5	Very high	91.2	Very high	8 Å²	8	37 Å²	37	7%	0.066	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-39.5	177.7	0	0	0	0	0	112.3	E521 E522 L529 Y615	E521-A525 WeakPolarHBondContact O-CB 3.46Å; E521-A525 PolarHBondContact O-N 3.15Å; E522-A525 PolarHBondContact O-N 2.85Å; A525-L529 WeakPolarHBondContact O-CB 3.37Å; A525-L529 PolarHBondContact O-N 2.96Å; A525-Y615 HydrophobicContact CB-CD2 3.7Å; A525-Y615 HydrophobicContact CB-CE1 4.5Å; A525-Y615 HydrophobicContact CB-CE2 3.57Å; A525-Y615 HydrophobicContact CB-CG 4.21Å
526	E	90.8	Very high	90.7	Very high	27 Å²	27	38.3 Å²	38.3	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-44.4	169.3	-76.8	-174	-165.7	0	0	112	R485 E522 I523 L529 K530	R485-E526 IonicContact CZ-OE1 2.68Å; R485-E526 IonicContact CZ-OE2 2.7Å; R485-E526 VanDerWaalsContact CZ-OE2 3.24Å; R485-E526 IonicContact NH1-OE2 3.66Å; R485-E526 PolarHBondContact NH1-OE2 3.04Å; R485-E526 VanDerWaalsContact NH2-CD 3.26Å; R485-E526 IonicContact NH2-OE1 3.08Å; R485-E526 PolarHBondContact NH2-OE1 3.01Å; R485-E526 IonicContact NH2-OE2 3.54Å; R485-E526 PolarHBondContact NH2-OE2 3.05Å; E522-E526 PolarHBondContact O-N 3.41Å; I523-E526 PolarHBondContact O-N 2.97Å; E526-L529 PolarHBondContact O-N 3.03Å; E526-K530 WeakPolarHBondContact O-CB 3.45Å; E526-K530 WeakPolarHBondContact O-CD 3.39Å; E526-K530 WeakPolarHBondContact O-CG 3.35Å; E526-K530 PolarHBondContact O-N 3.2Å; E526-K530 IonicContact OE2-NZ 3.74Å
527	M	88	Confident	90.2	Very high	79 Å²	79	40.4 Å²	40.4	39%	0.389	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-44.4	179.8	-73.1	176.3	72.5	0	0	112.1	V488 I523 Y524 K530 E531	V488-M527 HydrophobicContact CG1-SD 4.26Å; I523-M527 HydrophobicContact CG2-CG 4.45Å; I523-M527 HydrophobicContact CG2-SD 3.95Å; I523-M527 WeakPolarHBondContact O-CB 3.45Å; I523-M527 VanDerWaalsContact O-CG 3.25Å; I523-M527 WeakPolarHBondContact O-CG 3.37Å; I523-M527 PolarHBondContact O-N 3.45Å; Y524-M527 PolarHBondContact O-N 3.18Å; M527-K530 PolarHBondContact O-N 3.38Å; M527-E531 PolarHBondContact O-N 3.36Å
528	E	85.5	Confident	89.9	Confident	36 Å²	36	45.1 Å²	45.1	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-42.5	175.7	-174.8	-178.3	-148.2	0	0	110.8	Y524 E531 Y532 R557 K904	Y524-E528 HydrophobicContact CE1-CB 4.25Å; Y524-E528 PolarHBondContact O-N 3.45Å; E528-E531 WeakPolarHBondContact O-CB 3.24Å; E528-E531 PolarHBondContact O-N 3.3Å; E528-Y532 HydrophobicContact CG-CE2 4.29Å; E528-Y532 WeakPolarHBondContact O-CD2 3.42Å; E528-Y532 WeakPolarHBondContact O-CE2 3.43Å; E528-R557 IonicContact OE1-NH1 2.72Å; E528-R557 IonicContact OE1-NH2 2.71Å; E528-K904 VanDerWaalsContact OE2-CD 3.31Å; E528-K904 WeakPolarHBondContact OE2-CD 3.22Å; E528-K904 WeakPolarHBondContact OE2-CE 3.5Å; E528-K904 IonicContact OE2-NZ 2.62Å; E528-K904 PolarHBondContact OE2-NZ 2.89Å
529	L	86.2	Confident	89.6	Confident	17 Å²	17	44.5 Å²	44.5	9%	0.089	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-39.6	179.3	-172.4	60.4	0	0	0	111.9	A525 E526 E531 Y532 P558 F613 T614	A525-L529 WeakPolarHBondContact O-CB 3.37Å; A525-L529 PolarHBondContact O-N 2.96Å; E526-L529 PolarHBondContact O-N 3.03Å; L529-E531 PolarHBondContact O-N 3.18Å; L529-Y532 PolarHBondContact O-N 3.06Å; L529-Y532 VanDerWaalsContact O-N 3.07Å; L529-P558 HydrophobicContact CD1-CB 3.7Å; L529-F613 HydrophobicContact CD1-CB 3.77Å; L529-F613 HydrophobicContact CD1-CG 4.44Å; L529-F613 HydrophobicContact CD2-CB 4Å; L529-F613 HydrophobicContact CG-CB 3.65Å; L529-T614 VanDerWaalsContact CD2-C 3.45Å
530	K	86.5	Confident	89.2	Confident	86 Å²	86	47.7 Å²	47.7	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-19.2	174.1	-76.7	168	176.4	166.4	0	113.8	E526 M527 Y532 N533 E612	E526-K530 WeakPolarHBondContact O-CB 3.45Å; E526-K530 WeakPolarHBondContact O-CD 3.39Å; E526-K530 WeakPolarHBondContact O-CG 3.35Å; E526-K530 PolarHBondContact O-N 3.2Å; E526-K530 IonicContact OE2-NZ 3.74Å; M527-K530 PolarHBondContact O-N 3.38Å; K530-Y532 PolarHBondContact O-N 3Å; K530-N533 WeakPolarHBondContact O-CB 3.38Å; K530-N533 PolarHBondContact O-N 2.94Å; K530-E612 WeakPolarHBondContact CE-OE1 3.19Å
531	E	82.4	Confident	88.7	Confident	103 Å²	103	52.5 Å²	52.5	48%	0.481	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.4	172.3	-73.8	-149.5	-148.2	0	0	114.1	K443 M527 E528 L529	K443-E531 PolarHBondContact NZ-O 3.44Å; K443-E531 IonicContact NZ-OE2 2.65Å; K443-E531 PolarHBondContact NZ-OE2 3.37Å; M527-E531 PolarHBondContact O-N 3.36Å; E528-E531 WeakPolarHBondContact O-CB 3.24Å; E528-E531 PolarHBondContact O-N 3.3Å; L529-E531 PolarHBondContact O-N 3.18Å
532	Y	85	Confident	88	Confident	60 Å²	60	56.5 Å²	56.5	24%	0.235	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	1.2	175.4	-54	-90.5	0	0	0	112.9	E528 L529 K530 M534 R557 P558 F613	E528-Y532 HydrophobicContact CG-CE2 4.29Å; E528-Y532 WeakPolarHBondContact O-CD2 3.42Å; E528-Y532 WeakPolarHBondContact O-CE2 3.43Å; L529-Y532 PolarHBondContact O-N 3.06Å; L529-Y532 VanDerWaalsContact O-N 3.07Å; K530-Y532 PolarHBondContact O-N 3Å; Y532-M534 WeakPolarHBondContact O-CG 3.13Å; Y532-R557 HydrophobicContact CE1-CB 3.84Å; Y532-R557 WeakPolarHBondContact OH-CD 3.15Å; Y532-R557 PolarHBondContact OH-NH1 3.31Å; Y532-P558 HydrophobicContact CD1-CB 4.41Å; Y532-P558 HydrophobicContact CD2-CB 4.03Å; Y532-P558 HydrophobicContact CG-CB 3.92Å; Y532-P558 HydrophobicContact CG-CG 4.26Å; Y532-F613 WeakPolarHBondContact O-CE2 3.3Å
533	N	87.3	Confident	87.3	Confident	55 Å²	55	59.2 Å²	59.2	29%	0.294	31%	0.308	S	S	.	.			trans	-57.9	141.7	172.7	-75.1	-0.8	0	0	0	110.2	K530 V611 E612 F613	K530-N533 WeakPolarHBondContact O-CB 3.38Å; K530-N533 PolarHBondContact O-N 2.94Å; N533-V611 WeakPolarHBondContact CA-O 3.45Å; N533-V611 WeakPolarHBondContact CB-O 3.45Å; N533-E612 WeakPolarHBondContact OD1-CA 3.48Å; N533-F613 PolarHBondContact OD1-N 3.29Å
534	M	87.3	Confident	86.5	Confident	31 Å²	31	65.5 Å²	65.5	15%	0.153	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.1	-170.2	-50.3	-167.2	-75	0	0	110.4	Y532 I537 L548 V550 D610 V611 F613	Y532-M534 WeakPolarHBondContact O-CG 3.13Å; M534-I537 HydrophobicContact CB-CD1 3.5Å; M534-I537 VanDerWaalsContact CB-CD1 3.5Å; M534-I537 HydrophobicContact CB-CG1 4.24Å; M534-I537 HydrophobicContact CE-CD1 3.6Å; M534-I537 HydrophobicContact CG-CD1 4.03Å; M534-I537 HydrophobicContact SD-CD1 3.44Å; M534-I537 WeakPolarHBondContact SD-CD1 3.22Å; M534-L548 HydrophobicContact CE-CD1 3.86Å; M534-L548 HydrophobicContact CE-CD2 4.02Å; M534-L548 HydrophobicContact CE-CG 4.12Å; M534-V550 HydrophobicContact CE-CB 4.49Å; M534-V550 HydrophobicContact CE-CG1 4.4Å; M534-V550 HydrophobicContact CE-CG2 3.97Å; M534-D610 CarbonylContact O-C 3.54Å; M534-D610 WeakPolarHBondContact O-CA 3.12Å; M534-V611 HydrophobicContact CB-CB 4.36Å; M534-V611 PolarHBondContact N-O 2.93Å; M534-V611 PolarHBondContact O-N 2.88Å; M534-F613 HydrophobicContact CE-CE2 4.13Å; M534-F613 HydrophobicContact CE-CZ 3.98Å; M534-F613 HydrophobicContact CG-CE2 4.49Å
535	S	87.5	Confident	86.1	Confident	89 Å²	89	64 Å²	64	62%	0.622	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.1	-179.1	-66.4	0	0	0	0	111.7	D610	S535-D610 VanDerWaalsContact CA-CG 3.44Å; S535-D610 WeakPolarHBondContact CA-OD1 3.44Å; S535-D610 VanDerWaalsContact CB-CG 3.49Å; S535-D610 WeakPolarHBondContact CB-OD1 3.43Å; S535-D610 WeakPolarHBondContact CB-OD2 3.34Å; S535-D610 VanDerWaalsContact OG-CG 3.32Å; S535-D610 PolarHBondContact OG-OD2 3.36Å
536	G	86.4	Confident	86.1	Confident	36 Å²	36	63.6 Å²	63.6	37%	0.371	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	65.4	31	176.9	0	0	0	0	0	115.6	M609 D610	G536-M609 PolarHBondContact N-O 3.48Å; G536-D610 PolarHBondContact N-OD1 3.25Å
537	I	87.2	Confident	86.1	Confident	44 Å²	44	62.8 Å²	62.8	23%	0.226	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.5	178.4	-70	-172.6	0	0	0	111.1	M534 L548 M609	M534-I537 HydrophobicContact CB-CD1 3.5Å; M534-I537 VanDerWaalsContact CB-CD1 3.5Å; M534-I537 HydrophobicContact CB-CG1 4.24Å; M534-I537 HydrophobicContact CE-CD1 3.6Å; M534-I537 HydrophobicContact CG-CD1 4.03Å; M534-I537 HydrophobicContact SD-CD1 3.44Å; M534-I537 WeakPolarHBondContact SD-CD1 3.22Å; I537-L548 HydrophobicContact CG2-CD1 3.73Å; I537-M609 PolarHBondContact N-O 2.96Å; I537-M609 PolarHBondContact O-N 3.3Å
538	I	89.8	Confident	86.3	Confident	100 Å²	100	59 Å²	59	51%	0.513	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-92.7	129	171.2	-61.5	174	0	0	0	108.3	F606	I538-F606 HydrophobicContact CG2-CB 3.72Å; I538-F606 HydrophobicContact CG2-CD1 3.85Å; I538-F606 HydrophobicContact CG2-CG 4.28Å
539	L	90.9	Very high	86.5	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-80.5	137.2	175.8	-56.7	171.9	0	0	0	109.9	L546 L548 L568 L594 Y604 F606	L539-L546 HydrophobicContact CB-CB 4.48Å; L539-L546 HydrophobicContact CB-CD2 4.48Å; L539-L546 HydrophobicContact CD1-CB 4.36Å; L539-L546 HydrophobicContact CD1-CD1 4.09Å; L539-L548 HydrophobicContact CD2-CB 3.86Å; L539-L548 HydrophobicContact CD2-CD1 3.69Å; L539-L548 HydrophobicContact CD2-CG 4.35Å; L539-L568 HydrophobicContact CD1-CD1 3.81Å; L539-L568 HydrophobicContact CD1-CD2 4.41Å; L539-L594 HydrophobicContact CD2-CD1 4.17Å; L539-Y604 HydrophobicContact CB-CE1 3.7Å; L539-Y604 HydrophobicContact CD1-CE1 4.43Å; L539-Y604 HydrophobicContact CG-CE1 4.39Å; L539-Y604 PolarHBondContact N-OH 2.95Å; L539-F606 WeakPolarHBondContact O-CD1 3.33Å
540	R	89.2	Confident	86.5	Confident	107 Å²	107	60.6 Å²	60.6	40%	0.404	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	153.5	170.2	-62.1	171.4	179.7	172.5	-3.3	108.8	L546 V547 E549 D591	R540-L546 WeakPolarHBondContact O-CA 3.46Å; R540-V547 HydrophobicContact CB-CB 4.16Å; R540-V547 PolarHBondContact N-O 2.86Å; R540-V547 PolarHBondContact O-N 2.88Å; R540-E549 IonicContact CZ-OE1 2.63Å; R540-E549 IonicContact CZ-OE2 2.69Å; R540-E549 IonicContact NE-OE2 3.36Å; R540-E549 IonicContact NH1-OE1 3.63Å; R540-E549 IonicContact NH2-OE1 2.71Å; R540-E549 PolarHBondContact NH2-OE1 3.24Å; R540-E549 IonicContact NH2-OE2 3Å; R540-E549 PolarHBondContact NH2-OE2 2.85Å; R540-D591 IonicContact CZ-OD1 3.24Å; R540-D591 IonicContact NH1-OD1 3.73Å; R540-D591 PolarHBondContact NH1-OD1 3.47Å; R540-D591 IonicContact NH1-OD2 2.71Å; R540-D591 PolarHBondContact NH1-OD2 2.96Å
541	R	85.7	Confident	86.1	Confident	103 Å²	103	60.5 Å²	60.5	39%	0.389	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.4	175.7	-167.5	176.4	-167	123.5	18	109.9	G543 L546 E601 F606	R541-G543 WeakPolarHBondContact CG-O 3.33Å; R541-G543 PolarHBondContact NE-O 3.41Å; R541-L546 HydrophobicContact CB-CD2 4.3Å; R541-L546 HydrophobicContact CG-CD2 4.29Å; R541-E601 PolarHBondContact NH1-O 3.21Å; R541-E601 PolarHBondContact NH2-O 3.15Å; R541-F606 HydrophobicContact CB-CE1 4.48Å; R541-F606 HydrophobicContact CB-CZ 4.43Å
542	N	81.6	Confident	85.5	Confident	114 Å²	114	56.5 Å²	56.5	61%	0.61	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	93.1	179.3	-173.2	15.6	0	0	0	109.5	D544 L545 V547	N542-D544 PolarHBondContact O-N 3.07Å; N542-L545 PolarHBondContact N-O 3.44Å; N542-L545 PolarHBondContact O-N 3.2Å; N542-V547 HydrophobicContact CB-CG2 3.69Å
543	G	79.1	Confident	85	Confident	58 Å²	58	54.3 Å²	54.3	60%	0.598	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	-126.3	-167.5	0	0	0	0	0	111.1	R541	R541-G543 WeakPolarHBondContact CG-O 3.33Å; R541-G543 PolarHBondContact NE-O 3.41Å
544	D	77.7	Confident	83.8	Confident	133 Å²	133	55.1 Å²	55.1	71%	0.711	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-25.2	176.4	-64.2	-39.5	0	0	0	112.9	N542 E601	N542-D544 PolarHBondContact O-N 3.07Å; D544-E601 WeakPolarHBondContact O-CG 3.47Å
545	L	84.2	Confident	82.6	Confident	57 Å²	57	58.8 Å²	58.8	30%	0.298	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	154.6	-171.1	-66.1	168	0	0	0	113	N542 T593	N542-L545 PolarHBondContact N-O 3.44Å; N542-L545 PolarHBondContact O-N 3.2Å; L545-T593 HydrophobicContact CB-CG2 3.84Å; L545-T593 HydrophobicContact CD1-CG2 3.75Å; L545-T593 HydrophobicContact CG-CG2 4.33Å
546	L	89.8	Confident	81.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.7	173.1	-66.5	174.5	0	0	0	110.9	L539 R540 R541 L594 I596 F600 Y604	L539-L546 HydrophobicContact CB-CB 4.48Å; L539-L546 HydrophobicContact CB-CD2 4.48Å; L539-L546 HydrophobicContact CD1-CB 4.36Å; L539-L546 HydrophobicContact CD1-CD1 4.09Å; R540-L546 WeakPolarHBondContact O-CA 3.46Å; R541-L546 HydrophobicContact CB-CD2 4.3Å; R541-L546 HydrophobicContact CG-CD2 4.29Å; L546-L594 WeakPolarHBondContact O-CB 3.33Å; L546-L594 PolarHBondContact O-N 3.22Å; L546-I596 HydrophobicContact CB-CD1 4.07Å; L546-I596 HydrophobicContact CD1-CD1 3.67Å; L546-I596 HydrophobicContact CG-CD1 4.39Å; L546-F600 HydrophobicContact CD1-CD1 4.3Å; L546-F600 HydrophobicContact CD1-CE1 3.96Å; L546-Y604 HydrophobicContact CD1-CD1 4.04Å; L546-Y604 HydrophobicContact CD1-CG 4.18Å; L546-Y604 HydrophobicContact CD2-CD1 3.71Å; L546-Y604 HydrophobicContact CD2-CE1 4.25Å
547	V	91	Very high	80.8	Confident	9 Å²	9	59.5 Å²	59.5	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.7	-175.2	178.7	0	0	0	0	109.8	R540 N542 D591 V592 T593	R540-V547 HydrophobicContact CB-CB 4.16Å; R540-V547 PolarHBondContact N-O 2.86Å; R540-V547 PolarHBondContact O-N 2.88Å; N542-V547 HydrophobicContact CB-CG2 3.69Å; V547-D591 HydrophobicContact CG1-CB 3.67Å; V547-V592 WeakPolarHBondContact CA-O 3.3Å; V547-T593 HydrophobicContact CG2-CG2 4.3Å
548	L	92.2	Very high	80.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.3	-179.5	173.2	68.8	0	0	0	110	M534 I537 L539 V550 L566 V592 L594 V611 F613	M534-L548 HydrophobicContact CE-CD1 3.86Å; M534-L548 HydrophobicContact CE-CD2 4.02Å; M534-L548 HydrophobicContact CE-CG 4.12Å; I537-L548 HydrophobicContact CG2-CD1 3.73Å; L539-L548 HydrophobicContact CD2-CB 3.86Å; L539-L548 HydrophobicContact CD2-CD1 3.69Å; L539-L548 HydrophobicContact CD2-CG 4.35Å; L548-V550 HydrophobicContact CD2-CG2 3.77Å; L548-V550 HydrophobicContact CG-CG2 3.73Å; L548-L566 HydrophobicContact CD2-CD1 4.37Å; L548-V592 HydrophobicContact CB-CB 4.4Å; L548-V592 PolarHBondContact N-O 2.86Å; L548-V592 WeakPolarHBondContact O-CB 3.4Å; L548-V592 PolarHBondContact O-N 2.78Å; L548-L594 HydrophobicContact CB-CD1 3.96Å; L548-L594 HydrophobicContact CB-CG 4.29Å; L548-V611 HydrophobicContact CD1-CG2 3.97Å; L548-V611 HydrophobicContact CD2-CG1 3.89Å; L548-V611 HydrophobicContact CD2-CG2 4.16Å; L548-F613 HydrophobicContact CD2-CE1 4.39Å; L548-F613 HydrophobicContact CD2-CZ 4.24Å
549	E	88.7	Confident	79.7	Confident	84 Å²	84	55.9 Å²	55.9	39%	0.393	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.9	169.9	-178.9	169	-130.6	0	0	109.8	R540	R540-E549 IonicContact CZ-OE1 2.63Å; R540-E549 IonicContact CZ-OE2 2.69Å; R540-E549 IonicContact NE-OE2 3.36Å; R540-E549 IonicContact NH1-OE1 3.63Å; R540-E549 IonicContact NH2-OE1 2.71Å; R540-E549 PolarHBondContact NH2-OE1 3.24Å; R540-E549 IonicContact NH2-OE2 3Å; R540-E549 PolarHBondContact NH2-OE2 2.85Å
550	V	86.6	Confident	79.2	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.012	32%	0.323	C	S	.	.			trans	-126.4	93.2	-176.7	-173.3	0	0	0	0	110.1	M534 L548 G552 L553 P558 E590 V592 F613	M534-V550 HydrophobicContact CE-CB 4.49Å; M534-V550 HydrophobicContact CE-CG1 4.4Å; M534-V550 HydrophobicContact CE-CG2 3.97Å; L548-V550 HydrophobicContact CD2-CG2 3.77Å; L548-V550 HydrophobicContact CG-CG2 3.73Å; V550-G552 PolarHBondContact O-N 3Å; V550-L553 HydrophobicContact CB-CB 4.17Å; V550-L553 HydrophobicContact CB-CD2 4.17Å; V550-L553 HydrophobicContact CG1-CB 4.26Å; V550-L553 WeakPolarHBondContact O-CB 3.33Å; V550-L553 PolarHBondContact O-N 3.06Å; V550-L553 VanDerWaalsContact O-N 3.15Å; V550-P558 HydrophobicContact CG1-CG 3.81Å; V550-E590 PolarHBondContact N-O 2.97Å; V550-V592 HydrophobicContact CB-CG2 4.21Å; V550-V592 HydrophobicContact CG2-CB 4.29Å; V550-V592 HydrophobicContact CG2-CG2 3.56Å; V550-F613 HydrophobicContact CG1-CZ 3.97Å; V550-F613 HydrophobicContact CG2-CZ 3.98Å
551	P	78.1	Confident	78.8	Confident	85 Å²	85	58.1 Å²	58.1	55%	0.552	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	129.7	-176.1	-26.5	35.5	0	0	0	113.6
552	G	70.5	Confident	78.4	Confident	19 Å²	19	54 Å²	54	20%	0.196	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-3.3	-177	0	0	0	0	0	115	V550 A554 E555 R557 E590	V550-G552 PolarHBondContact O-N 3Å; G552-A554 VanDerWaalsContact C-N 3.3Å; G552-A554 PolarHBondContact O-N 3.05Å; G552-E555 CarbonylContact O-C 3.58Å; G552-E555 WeakPolarHBondContact O-CA 3.49Å; G552-E555 WeakPolarHBondContact O-CB 3.25Å; G552-E555 PolarHBondContact O-N 2.76Å; G552-R557 CarbonylContact C-O 3.32Å; G552-R557 PolarHBondContact O-N 3.21Å; G552-R557 VanDerWaalsContact O-O 3.05Å; G552-E590 WeakPolarHBondContact CA-OE1 3.42Å; G552-E590 PolarHBondContact N-OE1 3.15Å
553	L	74.7	Confident	78.2	Confident	14 Å²	14	50.3 Å²	50.3	7%	0.073	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-63.6	-34.9	-178.7	179.1	60.8	0	0	0	112.4	V550 E555 G556 R557 P558 L560 I587 V592	V550-L553 HydrophobicContact CB-CB 4.17Å; V550-L553 HydrophobicContact CB-CD2 4.17Å; V550-L553 HydrophobicContact CG1-CB 4.26Å; V550-L553 WeakPolarHBondContact O-CB 3.33Å; V550-L553 PolarHBondContact O-N 3.06Å; V550-L553 VanDerWaalsContact O-N 3.15Å; L553-E555 PolarHBondContact O-N 2.88Å; L553-G556 WeakPolarHBondContact O-CA 3.46Å; L553-G556 PolarHBondContact O-N 3.18Å; L553-R557 PolarHBondContact N-O 2.86Å; L553-P558 WeakPolarHBondContact CD1-O 3.15Å; L553-L560 HydrophobicContact CD1-CB 4.25Å; L553-L560 HydrophobicContact CD1-CD1 4.2Å; L553-L560 HydrophobicContact CD1-CG 4.3Å; L553-L560 HydrophobicContact CD2-CD1 4.42Å; L553-I587 HydrophobicContact CD2-CG2 3.62Å; L553-I587 HydrophobicContact CG-CG2 4.11Å; L553-V592 HydrophobicContact CD2-CG2 3.19Å
554	A	62.1	Low	78.4	Confident	72 Å²	72	48.1 Å²	48.1	60%	0.595	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-60.7	-22.1	171.3	0	0	0	0	0	113	G552 E589 E590	G552-A554 VanDerWaalsContact C-N 3.3Å; G552-A554 PolarHBondContact O-N 3.05Å; A554-E589 PolarHBondContact N-O 2.83Å; A554-E590 HydrophobicContact CB-CG 3.99Å
555	E	62.2	Low	78.8	Confident	107 Å²	107	45 Å²	45	50%	0.5	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-92.5	11.5	170.4	-45.5	-169.7	169.6	0	0	114.1	G552 L553 R1050	G552-E555 CarbonylContact O-C 3.58Å; G552-E555 WeakPolarHBondContact O-CA 3.49Å; G552-E555 WeakPolarHBondContact O-CB 3.25Å; G552-E555 PolarHBondContact O-N 2.76Å; L553-E555 PolarHBondContact O-N 2.88Å; E555-R1050 PolarHBondContact O-NH1 2.87Å; E555-R1050 PolarHBondContact O-NH2 2.67Å; E555-R1050 IonicContact OE2-CZ 3.61Å; E555-R1050 IonicContact OE2-NE 3.8Å; E555-R1050 PolarHBondContact OE2-NE 3.38Å; E555-R1050 IonicContact OE2-NH2 2.74Å; E555-R1050 PolarHBondContact OE2-NH2 3.31Å
556	G	67.2	Low	79.1	Confident	44 Å²	44	42.4 Å²	42.4	45%	0.454	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	29.8	-177.7	0	0	0	0	0	114.9	L553 P558	L553-G556 WeakPolarHBondContact O-CA 3.46Å; L553-G556 PolarHBondContact O-N 3.18Å; G556-P558 CarbonylContact C-O 3.53Å
557	R	69	Low	79	Confident	97 Å²	97	43.3 Å²	43.3	37%	0.366	25%	0.252	S	S	.	.			trans	-139.6	115	-178.5	-74.8	-171.7	172	-107.7	-12.9	112.1	E528 Y532 G552 L553	E528-R557 IonicContact OE1-NH1 2.72Å; E528-R557 IonicContact OE1-NH2 2.71Å; Y532-R557 HydrophobicContact CE1-CB 3.84Å; Y532-R557 WeakPolarHBondContact OH-CD 3.15Å; Y532-R557 PolarHBondContact OH-NH1 3.31Å; G552-R557 CarbonylContact C-O 3.32Å; G552-R557 PolarHBondContact O-N 3.21Å; G552-R557 VanDerWaalsContact O-O 3.05Å; L553-R557 PolarHBondContact N-O 2.86Å
558	P	76.9	Confident	79	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.019	25%	0.249	C	C	.	.	S	Bend	cis	-62.3	158.5	-4.5	26.5	-33.8	0	0	0	112.6	L529 Y532 V550 L553 G556 L560 F613	L529-P558 HydrophobicContact CD1-CB 3.7Å; Y532-P558 HydrophobicContact CD1-CB 4.41Å; Y532-P558 HydrophobicContact CD2-CB 4.03Å; Y532-P558 HydrophobicContact CG-CB 3.92Å; Y532-P558 HydrophobicContact CG-CG 4.26Å; V550-P558 HydrophobicContact CG1-CG 3.81Å; L553-P558 WeakPolarHBondContact CD1-O 3.15Å; G556-P558 CarbonylContact C-O 3.53Å; P558-L560 HydrophobicContact CB-CD2 4.33Å; P558-L560 HydrophobicContact CB-CG 4.23Å; P558-L560 HydrophobicContact CG-CD1 3.96Å; P558-L560 HydrophobicContact CG-CD2 4.32Å; P558-L560 HydrophobicContact CG-CG 3.94Å; P558-L560 PolarHBondContact O-N 3.46Å; P558-F613 HydrophobicContact CG-CD2 4.44Å; P558-F613 HydrophobicContact CG-CE2 4.14Å; P558-F613 HydrophobicContact CG-CZ 4.2Å
559	S	75.4	Confident	78.9	Confident	65 Å²	65	45 Å²	45	46%	0.455	26%	0.258	S	S	.	.			trans	-83.7	91.2	175.4	59	0	0	0	0	110
560	L	81.6	Confident	78.7	Confident	19 Å²	19	42.6 Å²	42.6	10%	0.099	25%	0.25	C	C	.	.			trans	-105.6	149.6	179.5	-56.9	175.3	0	0	0	111.3	L553 P558 I587 V592 F613	L553-L560 HydrophobicContact CD1-CB 4.25Å; L553-L560 HydrophobicContact CD1-CD1 4.2Å; L553-L560 HydrophobicContact CD1-CG 4.3Å; L553-L560 HydrophobicContact CD2-CD1 4.42Å; P558-L560 HydrophobicContact CB-CD2 4.33Å; P558-L560 HydrophobicContact CB-CG 4.23Å; P558-L560 HydrophobicContact CG-CD1 3.96Å; P558-L560 HydrophobicContact CG-CD2 4.32Å; P558-L560 HydrophobicContact CG-CG 3.94Å; P558-L560 PolarHBondContact O-N 3.46Å; L560-I587 HydrophobicContact CB-CD1 3.87Å; L560-I587 WeakPolarHBondContact O-CD1 3.42Å; L560-V592 HydrophobicContact CD1-CG2 4.16Å; L560-F613 HydrophobicContact CD1-CD1 4.1Å; L560-F613 HydrophobicContact CD1-CE1 3.57Å; L560-F613 HydrophobicContact CD1-CZ 4.25Å; L560-F613 HydrophobicContact CD2-CD1 3.66Å; L560-F613 HydrophobicContact CD2-CE1 4.03Å; L560-F613 HydrophobicContact CD2-CG 4.39Å; L560-F613 HydrophobicContact CG-CE1 4.43Å
561	Y	80.4	Confident	78.4	Confident	135 Å²	135	47.8 Å²	47.8	53%	0.529	27%	0.274	S	S	.	.			trans	-130.8	157.2	172.9	-59.4	-84.9	0	0	0	111.4	G563 D564	Y561-G563 PolarHBondContact O-N 2.99Å; Y561-D564 PolarHBondContact N-OD2 2.57Å; Y561-D564 WeakPolarHBondContact O-CB 3.25Å; Y561-D564 PolarHBondContact O-N 2.68Å
562	A	78.1	Confident	78.1	Confident	17 Å²	17	49.3 Å²	49.3	14%	0.14	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	130.4	168.3	0	0	0	0	0	110.8	T585 C811 F813	A562-T585 VanDerWaalsContact CB-O 3.3Å; A562-T585 WeakPolarHBondContact CB-O 3.1Å; A562-C811 WeakPolarHBondContact O-CB 3.38Å; A562-C811 PolarHBondContact O-SG 3.03Å; A562-F813 HydrophobicContact CB-CE1 4.04Å; A562-F813 HydrophobicContact CB-CZ 3.77Å
563	G	76.6	Confident	77.9	Confident	37 Å²	37	57 Å²	57	38%	0.381	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-5.7	-173.2	0	0	0	0	0	115.6	Y561 V584	Y561-G563 PolarHBondContact O-N 2.99Å; G563-V584 PolarHBondContact N-O 2.71Å
564	D	83.8	Confident	77.7	Confident	11 Å²	11	63.4 Å²	63.4	6%	0.059	33%	0.332	C	S	.	.			trans	-69.3	150.1	171.8	-75.9	-26.1	0	0	0	111.7	Y561 Y583 V584 N616	Y561-D564 PolarHBondContact N-OD2 2.57Å; Y561-D564 WeakPolarHBondContact O-CB 3.25Å; Y561-D564 PolarHBondContact O-N 2.68Å; D564-Y583 WeakPolarHBondContact O-CA 3.39Å; D564-V584 PolarHBondContact O-N 2.99Å; D564-N616 WeakPolarHBondContact OD1-CB 3.39Å; D564-N616 PolarHBondContact OD1-ND2 2.92Å
565	K	85.7	Confident	78.2	Confident	68 Å²	68	61.9 Å²	61.9	30%	0.296	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.3	-179.5	170.9	-176	168.8	-177.6	0	111.1	I581 S582 Y583 T614	K565-I581 HydrophobicContact CD-CG2 4.08Å; K565-I581 HydrophobicContact CG-CG2 4.21Å; K565-S582 WeakPolarHBondContact CA-O 3.35Å; K565-Y583 HydrophobicContact CB-CD1 4.27Å; K565-Y583 HydrophobicContact CB-CE1 4.09Å; K565-T614 WeakPolarHBondContact CB-OG1 3.47Å; K565-T614 HydrophobicContact CG-CG2 4.48Å; K565-T614 WeakPolarHBondContact CG-OG1 3.26Å; K565-T614 PolarHBondContact O-N 3.19Å; K565-T614 PolarHBondContact O-OG1 3.39Å
566	L	89.4	Confident	78.8	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.8	162.7	57	110	0	0	0	111.1	L548 L568 S582 V584 L594 V611 E612 F613	L548-L566 HydrophobicContact CD2-CD1 4.37Å; L566-L568 HydrophobicContact CD1-CD2 3.91Å; L566-L568 HydrophobicContact CD1-CG 4.36Å; L566-S582 WeakPolarHBondContact CD1-OG 3.21Å; L566-S582 VanDerWaalsContact CG-OG 3.31Å; L566-S582 WeakPolarHBondContact CG-OG 3.35Å; L566-S582 PolarHBondContact N-O 3.2Å; L566-S582 PolarHBondContact O-N 2.83Å; L566-S582 VanDerWaalsContact O-O 3.05Å; L566-S582 PolarHBondContact O-OG 2.91Å; L566-V584 HydrophobicContact CD2-CG2 3.65Å; L566-L594 HydrophobicContact CD1-CD1 4.05Å; L566-L594 HydrophobicContact CD1-CD2 3.89Å; L566-L594 HydrophobicContact CD2-CD2 3.73Å; L566-L594 HydrophobicContact CG-CD2 4.18Å; L566-V611 HydrophobicContact CD1-CG1 3.89Å; L566-E612 WeakPolarHBondContact CA-O 3.22Å; L566-F613 HydrophobicContact CB-CD1 4.03Å; L566-F613 HydrophobicContact CD2-CD1 4.16Å; L566-F613 HydrophobicContact CD2-CE1 4.05Å
567	I	89.7	Confident	79.5	Confident	19 Å²	19	58 Å²	58	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.1	-175.1	-57.3	172.6	0	0	0	107.6	K569 E579 E612 T614	I567-K569 HydrophobicContact CG2-CG 4.37Å; I567-E579 HydrophobicContact CG2-CB 3.83Å; I567-E579 HydrophobicContact CG2-CG 3.8Å; I567-E612 HydrophobicContact CB-CB 4.41Å; I567-E612 PolarHBondContact N-O 3.09Å; I567-E612 PolarHBondContact O-N 2.79Å; I567-T614 HydrophobicContact CD1-CG2 3.82Å; I567-T614 HydrophobicContact CG1-CG2 3.94Å
568	L	90.1	Very high	80.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.8	171.5	-56.7	172.9	0	0	0	108.4	L539 L566 E579 Y580 L594 I596 F600 M609 D610 V611	L539-L568 HydrophobicContact CD1-CD1 3.81Å; L539-L568 HydrophobicContact CD1-CD2 4.41Å; L566-L568 HydrophobicContact CD1-CD2 3.91Å; L566-L568 HydrophobicContact CD1-CG 4.36Å; L568-E579 CarbonylContact O-C 3.55Å; L568-E579 WeakPolarHBondContact O-CA 3.45Å; L568-Y580 PolarHBondContact N-O 2.84Å; L568-Y580 PolarHBondContact O-N 2.98Å; L568-L594 HydrophobicContact CD1-CD1 4.14Å; L568-L594 HydrophobicContact CD2-CD1 4.18Å; L568-I596 HydrophobicContact CD1-CD1 3.59Å; L568-I596 HydrophobicContact CD1-CG1 4.02Å; L568-F600 HydrophobicContact CD1-CE1 4.33Å; L568-M609 HydrophobicContact CB-CE 3.77Å; L568-D610 CarbonylContact C-O 3.55Å; L568-D610 WeakPolarHBondContact CA-O 3.5Å; L568-V611 HydrophobicContact CD2-CG1 4.47Å; L568-V611 HydrophobicContact CD2-CG2 3.96Å
569	K	89.2	Confident	80.7	Confident	44 Å²	44	56.6 Å²	56.6	19%	0.191	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132	178.8	-74.5	162.8	-169.5	168.6	0	109.9	I567 I578 E579 M609 D610 E612	I567-K569 HydrophobicContact CG2-CG 4.37Å; K569-I578 WeakPolarHBondContact CA-O 3.38Å; K569-E579 HydrophobicContact CD-CG 4.45Å; K569-E579 WeakPolarHBondContact CE-OE1 3.36Å; K569-E579 HydrophobicContact CG-CG 3.69Å; K569-M609 VanDerWaalsContact C-CE 3.4Å; K569-M609 WeakPolarHBondContact O-CA 3.48Å; K569-M609 WeakPolarHBondContact O-CE 3.45Å; K569-D610 HydrophobicContact CB-CB 3.98Å; K569-D610 PolarHBondContact N-O 2.89Å; K569-D610 PolarHBondContact O-N 2.94Å; K569-E612 IonicContact NZ-OE2 3.75Å; K569-E612 PolarHBondContact NZ-OE2 3.2Å
570	T	86.1	Confident	81.3	Confident	35 Å²	35	55.1 Å²	55.1	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	153.5	162.8	64.9	0	0	0	0	109.5	I578 Y580 M609	T570-I578 HydrophobicContact CG2-CB 3.95Å; T570-I578 PolarHBondContact N-O 3.28Å; T570-I578 PolarHBondContact OG1-N 2.89Å; T570-Y580 HydrophobicContact CG2-CE2 3.84Å; T570-M609 HydrophobicContact CG2-CE 4.14Å; T570-M609 HydrophobicContact CG2-SD 4.18Å
571	Q	80.6	Confident	81.6	Confident	111 Å²	111	55.1 Å²	55.1	52%	0.519	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-57.6	151	161.2	-66.4	-176.2	-11.4	0	0	110.2	Y573	Q571-Y573 PolarHBondContact O-N 2.8Å
572	E	71.5	Confident	82	Confident	116 Å²	116	48.7 Å²	48.7	54%	0.542	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-70.7	118.9	-175.2	-63.7	-167.8	151.3	0	0	111.1	S453 A577	S453-E572 WeakPolarHBondContact CB-OE1 3.29Å; S453-E572 PolarHBondContact OG-OE1 2.91Å; E572-A577 HydrophobicContact CG-CB 4.36Å
573	Y	66.6	Low	82.4	Confident	181 Å²	181	50.8 Å²	50.8	71%	0.71	26%	0.257	S	S	*	.	B	Isolated β-bridge	trans	-107.8	119.9	174	-167.7	-95.4	0	0	0	108.9	Q571 G575 H576	Q571-Y573 PolarHBondContact O-N 2.8Å; Y573-G575 PolarHBondContact O-N 3.34Å; Y573-G575 VanDerWaalsContact O-N 3.16Å; Y573-H576 PolarHBondContact N-O 2.67Å; Y573-H576 PolarHBondContact O-N 2.73Å
574	N	69.1	Low	82.9	Confident	148 Å²	148	49.1 Å²	49.1	79%	0.791	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	35.5	-175.2	-63.7	-19.2	0	0	0	114.5	H576	N574-H576 VanDerWaalsContact C-N 3.32Å; N574-H576 PolarHBondContact O-N 2.7Å
575	G	72.5	Confident	82.8	Confident	41 Å²	41	50.8 Å²	50.8	42%	0.423	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	13.2	-179.6	0	0	0	0	0	115	S453 A454 Y573	S453-G575 VanDerWaalsContact CB-O 3.3Å; S453-G575 WeakPolarHBondContact CB-O 3.48Å; A454-G575 PolarHBondContact N-O 2.83Å; Y573-G575 PolarHBondContact O-N 3.34Å; Y573-G575 VanDerWaalsContact O-N 3.16Å
576	H	76.1	Confident	82.7	Confident	63 Å²	63	53.7 Å²	53.7	29%	0.292	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.5	174.7	-175.8	-72.2	0	0	0	110.8	A454 T456 Y573 N574	A454-H576 WeakPolarHBondContact O-CA 3.42Å; T456-H576 PolarHBondContact N-CE1 3.2Å; T456-H576 PolarHBondContact N-NE2 2.72Å; T456-H576 PolarHBondContact OG1-CE1 3.49Å; T456-H576 VanDerWaalsContact OG1-CE1 3.27Å; T456-H576 PolarHBondContact OG1-NE2 3.07Å; Y573-H576 PolarHBondContact N-O 2.67Å; Y573-H576 PolarHBondContact O-N 2.73Å; N574-H576 VanDerWaalsContact C-N 3.32Å; N574-H576 PolarHBondContact O-N 2.7Å
577	A	80.4	Confident	82.5	Confident	6 Å²	6	56.1 Å²	56.1	5%	0.05	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.9	174.7	0	0	0	0	0	111.3	A454 K455 T456 E572	A454-A577 PolarHBondContact O-N 2.89Å; K455-A577 WeakPolarHBondContact CA-O 3.47Å; T456-A577 PolarHBondContact N-O 3.33Å; E572-A577 HydrophobicContact CG-CB 4.36Å
578	I	84.1	Confident	82.1	Confident	50 Å²	50	62 Å²	62	26%	0.256	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.1	172.3	-51.9	176.9	0	0	0	108.6	T456 V458 K569 T570 Y580	T456-I578 WeakPolarHBondContact O-CA 3.41Å; V458-I578 HydrophobicContact CG2-CG2 3.75Å; K569-I578 WeakPolarHBondContact CA-O 3.38Å; T570-I578 HydrophobicContact CG2-CB 3.95Å; T570-I578 PolarHBondContact N-O 3.28Å; T570-I578 PolarHBondContact OG1-N 2.89Å; I578-Y580 HydrophobicContact CB-CE2 3.99Å; I578-Y580 HydrophobicContact CG2-CD2 4.17Å; I578-Y580 HydrophobicContact CG2-CE1 4.09Å; I578-Y580 HydrophobicContact CG2-CE2 3.57Å
579	E	87.9	Confident	81.7	Confident	20 Å²	20	69 Å²	69	9%	0.093	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	103.3	179	-82.6	-179.2	172	0	0	110.2	K455 T456 T457 V458 I567 L568 K569	K455-E579 WeakPolarHBondContact CD-OE1 3.44Å; K455-E579 WeakPolarHBondContact CE-OE1 3.32Å; K455-E579 IonicContact NZ-OE1 2.69Å; K455-E579 PolarHBondContact NZ-OE1 2.76Å; T456-E579 PolarHBondContact O-N 3.25Å; T457-E579 CarbonylContact C-O 3.45Å; T457-E579 VanDerWaalsContact CA-O 3.28Å; T457-E579 WeakPolarHBondContact CA-O 3.4Å; T457-E579 HydrophobicContact CG2-CB 4.3Å; T457-E579 WeakPolarHBondContact CG2-O 3.28Å; V458-E579 PolarHBondContact N-O 3.4Å; I567-E579 HydrophobicContact CG2-CB 3.83Å; I567-E579 HydrophobicContact CG2-CG 3.8Å; L568-E579 CarbonylContact O-C 3.55Å; L568-E579 WeakPolarHBondContact O-CA 3.45Å; K569-E579 HydrophobicContact CD-CG 4.45Å; K569-E579 WeakPolarHBondContact CE-OE1 3.36Å; K569-E579 HydrophobicContact CG-CG 3.69Å
580	Y	87.5	Confident	81.4	Confident	34 Å²	34	70.4 Å²	70.4	13%	0.133	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.5	172.8	-60.3	-86.2	0	0	0	109.9	V458 L568 T570 I578 F600 M609	V458-Y580 HydrophobicContact CB-CD1 3.56Å; V458-Y580 HydrophobicContact CB-CE1 3.76Å; V458-Y580 HydrophobicContact CB-CG 4.42Å; V458-Y580 HydrophobicContact CG1-CD1 3.73Å; V458-Y580 HydrophobicContact CG1-CE1 3.87Å; V458-Y580 HydrophobicContact CG2-CD1 4.12Å; V458-Y580 HydrophobicContact CG2-CE1 3.81Å; L568-Y580 PolarHBondContact N-O 2.84Å; L568-Y580 PolarHBondContact O-N 2.98Å; T570-Y580 HydrophobicContact CG2-CE2 3.84Å; I578-Y580 HydrophobicContact CB-CE2 3.99Å; I578-Y580 HydrophobicContact CG2-CD2 4.17Å; I578-Y580 HydrophobicContact CG2-CE1 4.09Å; I578-Y580 HydrophobicContact CG2-CE2 3.57Å; Y580-F600 HydrophobicContact CD1-CB 3.82Å; Y580-F600 AromaticContact CD1-CD2 3.9Å; Y580-F600 HydrophobicContact CD1-CD2 3.9Å; Y580-F600 AromaticContact CD1-CG 3.81Å; Y580-F600 HydrophobicContact CD1-CG 3.81Å; Y580-F600 AromaticContact CD2-CD2 3.85Å; Y580-F600 HydrophobicContact CD2-CD2 3.85Å; Y580-F600 AromaticContact CD2-CE2 3.8Å; Y580-F600 HydrophobicContact CD2-CE2 3.8Å; Y580-F600 HydrophobicContact CD2-CG 4.35Å; Y580-F600 HydrophobicContact CD2-CZ 4.27Å; Y580-F600 HydrophobicContact CE1-CB 3.68Å; Y580-F600 AromaticContact CE1-CD2 3.53Å; Y580-F600 HydrophobicContact CE1-CD2 3.53Å; Y580-F600 HydrophobicContact CE1-CE2 4.4Å; Y580-F600 AromaticContact CE1-CG 3.78Å; Y580-F600 HydrophobicContact CE1-CG 3.78Å; Y580-F600 AromaticContact CE2-CD2 3.44Å; Y580-F600 HydrophobicContact CE2-CD2 3.44Å; Y580-F600 VanDerWaalsContact CE2-CD2 3.44Å; Y580-F600 AromaticContact CE2-CE2 3.49Å; Y580-F600 HydrophobicContact CE2-CE2 3.49Å; Y580-F600 VanDerWaalsContact CE2-CE2 3.49Å; Y580-F600 HydrophobicContact CE2-CG 4.3Å; Y580-F600 HydrophobicContact CE2-CZ 4.38Å; Y580-F600 HydrophobicContact CG-CD2 4.06Å; Y580-F600 HydrophobicContact CG-CE2 4.37Å; Y580-F600 HydrophobicContact CG-CG 4.12Å; Y580-F600 AromaticContact CZ-CD2 3.27Å; Y580-F600 AromaticContact CZ-CE2 3.84Å; Y580-M609 HydrophobicContact CD2-CE 3.98Å; Y580-M609 HydrophobicContact CE2-CE 4.37Å
581	I	88.2	Confident	81.6	Confident	19 Å²	19	71 Å²	71	10%	0.097	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.8	169	-65.4	-177.1	0	0	0	108.6	T457 V458 V459 V460 K565 Y583	T457-I581 HydrophobicContact CG2-CD1 3.85Å; T457-I581 HydrophobicContact CG2-CG1 3.85Å; V458-I581 PolarHBondContact O-N 2.8Å; V459-I581 HydrophobicContact CG1-CD1 4.35Å; V459-I581 HydrophobicContact CG2-CD1 4.11Å; V460-I581 VanDerWaalsContact CG2-O 3.25Å; V460-I581 WeakPolarHBondContact CG2-O 3.3Å; K565-I581 HydrophobicContact CD-CG2 4.08Å; K565-I581 HydrophobicContact CG-CG2 4.21Å; I581-Y583 HydrophobicContact CG2-CE2 3.82Å
582	S	88.2	Confident	82	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.8	178.9	68.7	0	0	0	0	110.9	K565 L566 K595 I596	K565-S582 WeakPolarHBondContact CA-O 3.35Å; L566-S582 WeakPolarHBondContact CD1-OG 3.21Å; L566-S582 VanDerWaalsContact CG-OG 3.31Å; L566-S582 WeakPolarHBondContact CG-OG 3.35Å; L566-S582 PolarHBondContact N-O 3.2Å; L566-S582 PolarHBondContact O-N 2.83Å; L566-S582 VanDerWaalsContact O-O 3.05Å; L566-S582 PolarHBondContact O-OG 2.91Å; S582-K595 WeakPolarHBondContact CA-O 3.36Å; S582-I596 VanDerWaalsContact CB-CG1 3.49Å
583	Y	86.7	Confident	82.9	Confident	61 Å²	61	61.1 Å²	61.1	24%	0.239	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.6	177.9	-65.2	-89.2	0	0	0	110.5	V460 D564 K565 I581 T585 K595	V460-Y583 HydrophobicContact CG2-CD2 4.13Å; V460-Y583 HydrophobicContact CG2-CE2 4.2Å; D564-Y583 WeakPolarHBondContact O-CA 3.39Å; K565-Y583 HydrophobicContact CB-CD1 4.27Å; K565-Y583 HydrophobicContact CB-CE1 4.09Å; I581-Y583 HydrophobicContact CG2-CE2 3.82Å; Y583-T585 PolarHBondContact O-N 2.87Å; Y583-K595 PolarHBondContact N-O 3.43Å; Y583-K595 PolarHBondContact O-N 3.31Å
584	V	86.8	Confident	84.1	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125.4	169.9	-179.1	0	0	0	0	108.9	G563 D564 L566 I587 V592	G563-V584 PolarHBondContact N-O 2.71Å; D564-V584 PolarHBondContact O-N 2.99Å; L566-V584 HydrophobicContact CD2-CG2 3.65Å; V584-I587 HydrophobicContact CG1-CD1 4.07Å; V584-I587 HydrophobicContact CG1-CG1 3.69Å; V584-V592 HydrophobicContact CB-CG1 4.28Å; V584-V592 HydrophobicContact CG1-CG1 3.77Å; V584-V592 HydrophobicContact CG2-CG1 3.74Å
585	T	83.5	Confident	84.8	Confident	46 Å²	46	50.7 Å²	50.7	28%	0.282	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-52.1	168.5	50.1	0	0	0	0	110.7	A562 Y583 T593 K595	A562-T585 VanDerWaalsContact CB-O 3.3Å; A562-T585 WeakPolarHBondContact CB-O 3.1Å; Y583-T585 PolarHBondContact O-N 2.87Å; T585-T593 PolarHBondContact N-O 3.25Å; T585-T593 WeakPolarHBondContact OG1-CB 3.3Å; T585-T593 WeakPolarHBondContact OG1-CG2 3.49Å; T585-T593 PolarHBondContact OG1-O 3.33Å; T585-K595 HydrophobicContact CG2-CB 3.66Å; T585-K595 HydrophobicContact CG2-CD 4.47Å
586	E	83.5	Confident	85.4	Confident	128 Å²	128	48.8 Å²	48.8	60%	0.598	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.9	-171.1	-66.9	174.9	-156.7	0	0	110.2	T593	E586-T593 PolarHBondContact O-N 3.15Å
587	I	83.6	Confident	85.9	Confident	53 Å²	53	46.2 Å²	46.2	27%	0.272	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.8	178	-63.3	172.8	0	0	0	107.6	L553 L560 V584	L553-I587 HydrophobicContact CD2-CG2 3.62Å; L553-I587 HydrophobicContact CG-CG2 4.11Å; L560-I587 HydrophobicContact CB-CD1 3.87Å; L560-I587 WeakPolarHBondContact O-CD1 3.42Å; V584-I587 HydrophobicContact CG1-CD1 4.07Å; V584-I587 HydrophobicContact CG1-CG1 3.69Å
588	H	83	Confident	86	Confident	142 Å²	142	48.4 Å²	48.4	66%	0.657	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	109.2	178.2	-172.1	78.8	0	0	0	110.3	E590 D591	H588-E590 PolarHBondContact O-N 3.48Å; H588-D591 PolarHBondContact N-O 3.43Å; H588-D591 PolarHBondContact O-N 2.95Å
589	E	80.9	Confident	85.9	Confident	149 Å²	149	52.6 Å²	52.6	70%	0.696	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	-95.1	-172.5	-56.1	-161.3	146.7	0	0	113.5	A554	A554-E589 PolarHBondContact N-O 2.83Å
590	E	83.5	Confident	85.7	Confident	72 Å²	72	52.4 Å²	52.4	34%	0.336	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-8.3	175.7	-55.8	-155.7	135.1	0	0	113.9	V550 G552 A554 H588	V550-E590 PolarHBondContact N-O 2.97Å; G552-E590 WeakPolarHBondContact CA-OE1 3.42Å; G552-E590 PolarHBondContact N-OE1 3.15Å; A554-E590 HydrophobicContact CB-CG 3.99Å; H588-E590 PolarHBondContact O-N 3.48Å
591	D	89.2	Confident	85.5	Confident	49 Å²	49	51.9 Å²	51.9	26%	0.262	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.5	177.1	-85.6	-33	0	0	0	111.4	R540 V547 H588	R540-D591 IonicContact CZ-OD1 3.24Å; R540-D591 IonicContact NH1-OD1 3.73Å; R540-D591 PolarHBondContact NH1-OD1 3.47Å; R540-D591 IonicContact NH1-OD2 2.71Å; R540-D591 PolarHBondContact NH1-OD2 2.96Å; V547-D591 HydrophobicContact CG1-CB 3.67Å; H588-D591 PolarHBondContact N-O 3.43Å; H588-D591 PolarHBondContact O-N 2.95Å
592	V	90.2	Very high	85.3	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.5	178.5	-177.5	0	0	0	0	109.1	V547 L548 V550 L553 L560 V584 L594	V547-V592 WeakPolarHBondContact CA-O 3.3Å; L548-V592 HydrophobicContact CB-CB 4.4Å; L548-V592 PolarHBondContact N-O 2.86Å; L548-V592 WeakPolarHBondContact O-CB 3.4Å; L548-V592 PolarHBondContact O-N 2.78Å; V550-V592 HydrophobicContact CB-CG2 4.21Å; V550-V592 HydrophobicContact CG2-CB 4.29Å; V550-V592 HydrophobicContact CG2-CG2 3.56Å; L553-V592 HydrophobicContact CD2-CG2 3.19Å; L560-V592 HydrophobicContact CD1-CG2 4.16Å; V584-V592 HydrophobicContact CB-CG1 4.28Å; V584-V592 HydrophobicContact CG1-CG1 3.77Å; V584-V592 HydrophobicContact CG2-CG1 3.74Å; V592-L594 HydrophobicContact CG1-CD2 3.85Å
593	T	90.5	Very high	85.1	Confident	18 Å²	18	60.9 Å²	60.9	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.4	176.2	-54.1	0	0	0	0	110	L545 V547 T585 E586	L545-T593 HydrophobicContact CB-CG2 3.84Å; L545-T593 HydrophobicContact CD1-CG2 3.75Å; L545-T593 HydrophobicContact CG-CG2 4.33Å; V547-T593 HydrophobicContact CG2-CG2 4.3Å; T585-T593 PolarHBondContact N-O 3.25Å; T585-T593 WeakPolarHBondContact OG1-CB 3.3Å; T585-T593 WeakPolarHBondContact OG1-CG2 3.49Å; T585-T593 PolarHBondContact OG1-O 3.33Å; E586-T593 PolarHBondContact O-N 3.15Å
594	L	90.1	Very high	85.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.8	-172.6	-55.9	-175.6	0	0	0	111.1	L539 L546 L548 L566 L568 V592 I596	L539-L594 HydrophobicContact CD2-CD1 4.17Å; L546-L594 WeakPolarHBondContact O-CB 3.33Å; L546-L594 PolarHBondContact O-N 3.22Å; L548-L594 HydrophobicContact CB-CD1 3.96Å; L548-L594 HydrophobicContact CB-CG 4.29Å; L566-L594 HydrophobicContact CD1-CD1 4.05Å; L566-L594 HydrophobicContact CD1-CD2 3.89Å; L566-L594 HydrophobicContact CD2-CD2 3.73Å; L566-L594 HydrophobicContact CG-CD2 4.18Å; L568-L594 HydrophobicContact CD1-CD1 4.14Å; L568-L594 HydrophobicContact CD2-CD1 4.18Å; V592-L594 HydrophobicContact CG1-CD2 3.85Å; L594-I596 HydrophobicContact CB-CD1 4.02Å; L594-I596 HydrophobicContact CB-CG1 4.37Å; L594-I596 HydrophobicContact CD1-CD1 4.47Å
595	K	84.8	Confident	85.1	Confident	111 Å²	111	63.6 Å²	63.6	48%	0.483	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.7	166	-179.8	162.2	-170.8	143.9	0	110.6	S582 Y583 T585	S582-K595 WeakPolarHBondContact CA-O 3.36Å; Y583-K595 PolarHBondContact N-O 3.43Å; Y583-K595 PolarHBondContact O-N 3.31Å; T585-K595 HydrophobicContact CG2-CB 3.66Å; T585-K595 HydrophobicContact CG2-CD 4.47Å
596	I	85.8	Confident	85.2	Confident	1 Å²	1	67 Å²	67	1%	0.005	33%	0.332	C	S	.	.			trans	-123	-174	-174.2	-58.1	143.7	0	0	0	108.7	L546 L568 S582 L594 F600	L546-I596 HydrophobicContact CB-CD1 4.07Å; L546-I596 HydrophobicContact CD1-CD1 3.67Å; L546-I596 HydrophobicContact CG-CD1 4.39Å; L568-I596 HydrophobicContact CD1-CD1 3.59Å; L568-I596 HydrophobicContact CD1-CG1 4.02Å; S582-I596 VanDerWaalsContact CB-CG1 3.49Å; L594-I596 HydrophobicContact CB-CD1 4.02Å; L594-I596 HydrophobicContact CB-CG1 4.37Å; L594-I596 HydrophobicContact CD1-CD1 4.47Å; I596-F600 HydrophobicContact CB-CD1 4.4Å; I596-F600 HydrophobicContact CD1-CD1 4.34Å; I596-F600 HydrophobicContact CD1-CE1 4.31Å; I596-F600 HydrophobicContact CG2-CB 4.16Å; I596-F600 HydrophobicContact CG2-CD1 3.54Å; I596-F600 HydrophobicContact CG2-CE1 4.35Å; I596-F600 HydrophobicContact CG2-CG 4.18Å
597	N	85.2	Confident	85.4	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.043	32%	0.322	C	S	.	.			trans	-63.8	126.2	164.5	176.3	-0.7	0	0	0	109.4	V458 E599 F600 E601	V458-N597 HydrophobicContact CG1-CB 4.16Å; V458-N597 WeakPolarHBondContact CG1-ND2 3.3Å; N597-E599 PolarHBondContact ND2-OE2 2.82Å; N597-E599 PolarHBondContact O-N 3.34Å; N597-E599 VanDerWaalsContact O-N 3.09Å; N597-E599 WeakPolarHBondContact OD1-CG 3.43Å; N597-E599 PolarHBondContact OD1-N 2.8Å; N597-F600 PolarHBondContact O-N 3Å; N597-E601 PolarHBondContact O-N 2.8Å
598	P	82.4	Confident	85.7	Confident	52 Å²	52	64.6 Å²	64.6	34%	0.338	32%	0.324	S	S	.	.	H	α-helix	trans	-51.1	-30.6	176.8	-30.6	37.4	0	0	0	115	E601 Q602	P598-E601 PolarHBondContact O-N 3.14Å; P598-Q602 WeakPolarHBondContact O-CB 3.38Å; P598-Q602 VanDerWaalsContact O-CG 3.27Å; P598-Q602 WeakPolarHBondContact O-CG 3.37Å; P598-Q602 PolarHBondContact O-N 3.17Å
599	E	82.5	Confident	86	Confident	138 Å²	138	58 Å²	58	65%	0.645	29%	0.293	S	S	*	.	H	α-helix	trans	-62.8	-42.6	177.4	-61.1	171.3	145.7	0	0	111.8	N597 A603	N597-E599 PolarHBondContact ND2-OE2 2.82Å; N597-E599 PolarHBondContact O-N 3.34Å; N597-E599 VanDerWaalsContact O-N 3.09Å; N597-E599 WeakPolarHBondContact OD1-CG 3.43Å; N597-E599 PolarHBondContact OD1-N 2.8Å; E599-A603 WeakPolarHBondContact O-CB 3.42Å; E599-A603 PolarHBondContact O-N 2.89Å
600	F	84.3	Confident	86.4	Confident	17 Å²	17	53.2 Å²	53.2	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-75.3	-40.6	175.3	175	-94.5	0	0	0	111.6	L546 L568 Y580 I596 N597 Q602 A603 Y604 M609	L546-F600 HydrophobicContact CD1-CD1 4.3Å; L546-F600 HydrophobicContact CD1-CE1 3.96Å; L568-F600 HydrophobicContact CD1-CE1 4.33Å; Y580-F600 HydrophobicContact CD1-CB 3.82Å; Y580-F600 AromaticContact CD1-CD2 3.9Å; Y580-F600 HydrophobicContact CD1-CD2 3.9Å; Y580-F600 AromaticContact CD1-CG 3.81Å; Y580-F600 HydrophobicContact CD1-CG 3.81Å; Y580-F600 AromaticContact CD2-CD2 3.85Å; Y580-F600 HydrophobicContact CD2-CD2 3.85Å; Y580-F600 AromaticContact CD2-CE2 3.8Å; Y580-F600 HydrophobicContact CD2-CE2 3.8Å; Y580-F600 HydrophobicContact CD2-CG 4.35Å; Y580-F600 HydrophobicContact CD2-CZ 4.27Å; Y580-F600 HydrophobicContact CE1-CB 3.68Å; Y580-F600 AromaticContact CE1-CD2 3.53Å; Y580-F600 HydrophobicContact CE1-CD2 3.53Å; Y580-F600 HydrophobicContact CE1-CE2 4.4Å; Y580-F600 AromaticContact CE1-CG 3.78Å; Y580-F600 HydrophobicContact CE1-CG 3.78Å; Y580-F600 AromaticContact CE2-CD2 3.44Å; Y580-F600 HydrophobicContact CE2-CD2 3.44Å; Y580-F600 VanDerWaalsContact CE2-CD2 3.44Å; Y580-F600 AromaticContact CE2-CE2 3.49Å; Y580-F600 HydrophobicContact CE2-CE2 3.49Å; Y580-F600 VanDerWaalsContact CE2-CE2 3.49Å; Y580-F600 HydrophobicContact CE2-CG 4.3Å; Y580-F600 HydrophobicContact CE2-CZ 4.38Å; Y580-F600 HydrophobicContact CG-CD2 4.06Å; Y580-F600 HydrophobicContact CG-CE2 4.37Å; Y580-F600 HydrophobicContact CG-CG 4.12Å; Y580-F600 AromaticContact CZ-CD2 3.27Å; Y580-F600 AromaticContact CZ-CE2 3.84Å; I596-F600 HydrophobicContact CB-CD1 4.4Å; I596-F600 HydrophobicContact CD1-CD1 4.34Å; I596-F600 HydrophobicContact CD1-CE1 4.31Å; I596-F600 HydrophobicContact CG2-CB 4.16Å; I596-F600 HydrophobicContact CG2-CD1 3.54Å; I596-F600 HydrophobicContact CG2-CE1 4.35Å; I596-F600 HydrophobicContact CG2-CG 4.18Å; N597-F600 PolarHBondContact O-N 3Å; F600-Q602 PolarHBondContact O-N 2.8Å; F600-A603 PolarHBondContact O-N 2.88Å; F600-A603 VanDerWaalsContact O-N 3.12Å; F600-Y604 HydrophobicContact CE1-CD2 4.1Å; F600-Y604 HydrophobicContact CE1-CG 4.32Å; F600-Y604 HydrophobicContact CE2-CD2 4.08Å; F600-Y604 AromaticContact CZ-CD2 3.5Å; F600-Y604 HydrophobicContact CZ-CD2 3.5Å; F600-Y604 VanDerWaalsContact CZ-CD2 3.5Å; F600-Y604 HydrophobicContact CZ-CE2 4.19Å; F600-Y604 HydrophobicContact CZ-CG 4.13Å; F600-Y604 VanDerWaalsContact O-CB 3.28Å; F600-Y604 WeakPolarHBondContact O-CB 3.23Å; F600-Y604 PolarHBondContact O-N 2.82Å; F600-M609 HydrophobicContact CE2-CE 4.1Å; F600-M609 HydrophobicContact CZ-CE 3.76Å; F600-M609 HydrophobicContact CZ-SD 4.25Å
601	E	83.8	Confident	86.8	Confident	23 Å²	23	49.9 Å²	49.9	11%	0.107	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-33.9	177.5	-168.6	166	-103.9	0	0	111.9	R541 D544 N597 P598	R541-E601 PolarHBondContact NH1-O 3.21Å; R541-E601 PolarHBondContact NH2-O 3.15Å; D544-E601 WeakPolarHBondContact O-CG 3.47Å; N597-E601 PolarHBondContact O-N 2.8Å; P598-E601 PolarHBondContact O-N 3.14Å
602	Q	83	Confident	86.8	Confident	147 Å²	147	49.5 Å²	49.5	69%	0.687	25%	0.254	S	S	*	.	H	α-helix	trans	-78.2	-43.3	170.1	-70.4	173.1	17.4	0	0	112.8	P598 F600	P598-Q602 WeakPolarHBondContact O-CB 3.38Å; P598-Q602 VanDerWaalsContact O-CG 3.27Å; P598-Q602 WeakPolarHBondContact O-CG 3.37Å; P598-Q602 PolarHBondContact O-N 3.17Å; F600-Q602 PolarHBondContact O-N 2.8Å
603	A	84.8	Confident	86.8	Confident	61 Å²	61	49.7 Å²	49.7	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-79.6	-12.3	-173.7	0	0	0	0	0	115.7	E599 F600 N605	E599-A603 WeakPolarHBondContact O-CB 3.42Å; E599-A603 PolarHBondContact O-N 2.89Å; F600-A603 PolarHBondContact O-N 2.88Å; F600-A603 VanDerWaalsContact O-N 3.12Å; A603-N605 PolarHBondContact O-N 3.01Å; A603-N605 PolarHBondContact O-ND2 3.19Å
604	Y	86.2	Confident	86.6	Confident	6 Å²	6	50.7 Å²	50.7	2%	0.024	26%	0.261	C	S	.	.			trans	-72	122.5	-177.9	-177.5	-104.5	0	0	0	112.7	L539 L546 F600 E607 M609	L539-Y604 HydrophobicContact CB-CE1 3.7Å; L539-Y604 HydrophobicContact CD1-CE1 4.43Å; L539-Y604 HydrophobicContact CG-CE1 4.39Å; L539-Y604 PolarHBondContact N-OH 2.95Å; L546-Y604 HydrophobicContact CD1-CD1 4.04Å; L546-Y604 HydrophobicContact CD1-CG 4.18Å; L546-Y604 HydrophobicContact CD2-CD1 3.71Å; L546-Y604 HydrophobicContact CD2-CE1 4.25Å; F600-Y604 HydrophobicContact CE1-CD2 4.1Å; F600-Y604 HydrophobicContact CE1-CG 4.32Å; F600-Y604 HydrophobicContact CE2-CD2 4.08Å; F600-Y604 AromaticContact CZ-CD2 3.5Å; F600-Y604 HydrophobicContact CZ-CD2 3.5Å; F600-Y604 VanDerWaalsContact CZ-CD2 3.5Å; F600-Y604 HydrophobicContact CZ-CE2 4.19Å; F600-Y604 HydrophobicContact CZ-CG 4.13Å; F600-Y604 VanDerWaalsContact O-CB 3.28Å; F600-Y604 WeakPolarHBondContact O-CB 3.23Å; F600-Y604 PolarHBondContact O-N 2.82Å; Y604-E607 WeakPolarHBondContact CD2-OE2 3.13Å; Y604-E607 HydrophobicContact CE2-CB 4.17Å; Y604-E607 VanDerWaalsContact CE2-O 3.22Å; Y604-E607 WeakPolarHBondContact CE2-O 3.47Å; Y604-E607 WeakPolarHBondContact CE2-OE2 3.29Å; Y604-E607 PolarHBondContact OH-O 2.83Å; Y604-M609 HydrophobicContact CE2-CG 3.88Å
605	N	85.4	Confident	86.4	Confident	115 Å²	115	54.2 Å²	54.2	62%	0.615	28%	0.275	S	S	*	.			trans	-119.7	47.3	-178.7	-53.8	-78	0	0	0	111.9	A603 E607	A603-N605 PolarHBondContact O-N 3.01Å; A603-N605 PolarHBondContact O-ND2 3.19Å; N605-E607 VanDerWaalsContact C-N 3.29Å; N605-E607 WeakPolarHBondContact CB-OE1 3.44Å; N605-E607 PolarHBondContact N-OE1 3.21Å; N605-E607 PolarHBondContact N-OE2 2.84Å; N605-E607 PolarHBondContact O-N 2.8Å
606	F	86.3	Confident	86.4	Confident	118 Å²	118	51.8 Å²	51.8	52%	0.518	27%	0.267	S	S	.	.	S	Bend	trans	65.3	25.9	177.5	-53.7	-80.4	0	0	0	114.5	I538 L539 R541	I538-F606 HydrophobicContact CG2-CB 3.72Å; I538-F606 HydrophobicContact CG2-CD1 3.85Å; I538-F606 HydrophobicContact CG2-CG 4.28Å; L539-F606 WeakPolarHBondContact O-CD1 3.33Å; R541-F606 HydrophobicContact CB-CE1 4.48Å; R541-F606 HydrophobicContact CB-CZ 4.43Å
607	E	88.4	Confident	86.6	Confident	81 Å²	81	54.2 Å²	54.2	38%	0.379	28%	0.276	S	S	.	.			trans	-63.3	142	174	-59	84.2	175.3	0	0	111.2	Y604 N605 M609	Y604-E607 WeakPolarHBondContact CD2-OE2 3.13Å; Y604-E607 HydrophobicContact CE2-CB 4.17Å; Y604-E607 VanDerWaalsContact CE2-O 3.22Å; Y604-E607 WeakPolarHBondContact CE2-O 3.47Å; Y604-E607 WeakPolarHBondContact CE2-OE2 3.29Å; Y604-E607 PolarHBondContact OH-O 2.83Å; N605-E607 VanDerWaalsContact C-N 3.29Å; N605-E607 WeakPolarHBondContact CB-OE1 3.44Å; N605-E607 PolarHBondContact N-OE1 3.21Å; N605-E607 PolarHBondContact N-OE2 2.84Å; N605-E607 PolarHBondContact O-N 2.8Å; E607-M609 PolarHBondContact O-N 3.37Å
608	P	88.7	Confident	86.7	Confident	48 Å²	48	56.3 Å²	56.3	31%	0.312	29%	0.289	S	S	.	.			trans	-68.7	125.3	176.8	27.5	-34.4	0	0	0	111.4
609	M	89.7	Confident	87.1	Confident	4 Å²	4	57 Å²	57	2%	0.02	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.2	-177.4	-61.8	-67.5	-73.9	0	0	111.6	G536 I537 L568 K569 T570 Y580 F600 Y604 E607	G536-M609 PolarHBondContact N-O 3.48Å; I537-M609 PolarHBondContact N-O 2.96Å; I537-M609 PolarHBondContact O-N 3.3Å; L568-M609 HydrophobicContact CB-CE 3.77Å; K569-M609 VanDerWaalsContact C-CE 3.4Å; K569-M609 WeakPolarHBondContact O-CA 3.48Å; K569-M609 WeakPolarHBondContact O-CE 3.45Å; T570-M609 HydrophobicContact CG2-CE 4.14Å; T570-M609 HydrophobicContact CG2-SD 4.18Å; Y580-M609 HydrophobicContact CD2-CE 3.98Å; Y580-M609 HydrophobicContact CE2-CE 4.37Å; F600-M609 HydrophobicContact CE2-CE 4.1Å; F600-M609 HydrophobicContact CZ-CE 3.76Å; F600-M609 HydrophobicContact CZ-SD 4.25Å; Y604-M609 HydrophobicContact CE2-CG 3.88Å; E607-M609 PolarHBondContact O-N 3.37Å
610	D	90.4	Very high	87.6	Confident	48 Å²	48	50.8 Å²	50.8	26%	0.257	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.2	169.8	-85.2	36.1	0	0	0	110.1	M534 S535 G536 L568 K569	M534-D610 CarbonylContact O-C 3.54Å; M534-D610 WeakPolarHBondContact O-CA 3.12Å; S535-D610 VanDerWaalsContact CA-CG 3.44Å; S535-D610 WeakPolarHBondContact CA-OD1 3.44Å; S535-D610 VanDerWaalsContact CB-CG 3.49Å; S535-D610 WeakPolarHBondContact CB-OD1 3.43Å; S535-D610 WeakPolarHBondContact CB-OD2 3.34Å; S535-D610 VanDerWaalsContact OG-CG 3.32Å; S535-D610 PolarHBondContact OG-OD2 3.36Å; G536-D610 PolarHBondContact N-OD1 3.25Å; L568-D610 CarbonylContact C-O 3.55Å; L568-D610 WeakPolarHBondContact CA-O 3.5Å; K569-D610 HydrophobicContact CB-CB 3.98Å; K569-D610 PolarHBondContact N-O 2.89Å; K569-D610 PolarHBondContact O-N 2.94Å
611	V	90.3	Very high	88	Confident	3 Å²	3	52 Å²	52	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118	-175.6	-172.5	0	0	0	0	110.5	N533 M534 L548 L566 L568 F613	N533-V611 WeakPolarHBondContact CA-O 3.45Å; N533-V611 WeakPolarHBondContact CB-O 3.45Å; M534-V611 HydrophobicContact CB-CB 4.36Å; M534-V611 PolarHBondContact N-O 2.93Å; M534-V611 PolarHBondContact O-N 2.88Å; L548-V611 HydrophobicContact CD1-CG2 3.97Å; L548-V611 HydrophobicContact CD2-CG1 3.89Å; L548-V611 HydrophobicContact CD2-CG2 4.16Å; L566-V611 HydrophobicContact CD1-CG1 3.89Å; L568-V611 HydrophobicContact CD2-CG1 4.47Å; L568-V611 HydrophobicContact CD2-CG2 3.96Å; V611-F613 HydrophobicContact CG1-CE1 4.24Å; V611-F613 HydrophobicContact CG1-CE2 4.3Å; V611-F613 HydrophobicContact CG1-CZ 4.11Å
612	E	90.4	Very high	88.5	Confident	41 Å²	41	51.8 Å²	51.8	19%	0.192	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.4	167.9	174.2	160.2	-147.8	0	0	111.3	K530 N533 L566 I567 K569	K530-E612 WeakPolarHBondContact CE-OE1 3.19Å; N533-E612 WeakPolarHBondContact OD1-CA 3.48Å; L566-E612 WeakPolarHBondContact CA-O 3.22Å; I567-E612 HydrophobicContact CB-CB 4.41Å; I567-E612 PolarHBondContact N-O 3.09Å; I567-E612 PolarHBondContact O-N 2.79Å; K569-E612 IonicContact NZ-OE2 3.75Å; K569-E612 PolarHBondContact NZ-OE2 3.2Å
613	F	89.6	Confident	89.2	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.4	174.1	-66.1	-71	0	0	0	110.6	L529 Y532 N533 M534 L548 V550 P558 L560 L566 V611	L529-F613 HydrophobicContact CD1-CB 3.77Å; L529-F613 HydrophobicContact CD1-CG 4.44Å; L529-F613 HydrophobicContact CD2-CB 4Å; L529-F613 HydrophobicContact CG-CB 3.65Å; Y532-F613 WeakPolarHBondContact O-CE2 3.3Å; N533-F613 PolarHBondContact OD1-N 3.29Å; M534-F613 HydrophobicContact CE-CE2 4.13Å; M534-F613 HydrophobicContact CE-CZ 3.98Å; M534-F613 HydrophobicContact CG-CE2 4.49Å; L548-F613 HydrophobicContact CD2-CE1 4.39Å; L548-F613 HydrophobicContact CD2-CZ 4.24Å; V550-F613 HydrophobicContact CG1-CZ 3.97Å; V550-F613 HydrophobicContact CG2-CZ 3.98Å; P558-F613 HydrophobicContact CG-CD2 4.44Å; P558-F613 HydrophobicContact CG-CE2 4.14Å; P558-F613 HydrophobicContact CG-CZ 4.2Å; L560-F613 HydrophobicContact CD1-CD1 4.1Å; L560-F613 HydrophobicContact CD1-CE1 3.57Å; L560-F613 HydrophobicContact CD1-CZ 4.25Å; L560-F613 HydrophobicContact CD2-CD1 3.66Å; L560-F613 HydrophobicContact CD2-CE1 4.03Å; L560-F613 HydrophobicContact CD2-CG 4.39Å; L560-F613 HydrophobicContact CG-CE1 4.43Å; L566-F613 HydrophobicContact CB-CD1 4.03Å; L566-F613 HydrophobicContact CD2-CD1 4.16Å; L566-F613 HydrophobicContact CD2-CE1 4.05Å; V611-F613 HydrophobicContact CG1-CE1 4.24Å; V611-F613 HydrophobicContact CG1-CE2 4.3Å; V611-F613 HydrophobicContact CG1-CZ 4.11Å
614	T	86.3	Confident	89.8	Confident	39 Å²	39	42.3 Å²	42.3	24%	0.239	21%	0.212	C	C	.	.			trans	-115.6	136.3	-177.1	76	0	0	0	0	112.4	L529 K565 I567	L529-T614 VanDerWaalsContact CD2-C 3.45Å; K565-T614 WeakPolarHBondContact CB-OG1 3.47Å; K565-T614 HydrophobicContact CG-CG2 4.48Å; K565-T614 WeakPolarHBondContact CG-OG1 3.26Å; K565-T614 PolarHBondContact O-N 3.19Å; K565-T614 PolarHBondContact O-OG1 3.39Å; I567-T614 HydrophobicContact CD1-CG2 3.82Å; I567-T614 HydrophobicContact CG1-CG2 3.94Å
615	Y	86.4	Confident	90.1	Very high	74 Å²	74	43.2 Å²	43.2	29%	0.29	22%	0.217	S	C	.	.			trans	-75.3	133.1	-175.3	175.5	-103.4	0	0	0	112	E522 A525 R617	E522-Y615 HydrophobicContact CG-CD1 3.89Å; E522-Y615 HydrophobicContact CG-CE1 3.8Å; A525-Y615 HydrophobicContact CB-CD2 3.7Å; A525-Y615 HydrophobicContact CB-CE1 4.5Å; A525-Y615 HydrophobicContact CB-CE2 3.57Å; A525-Y615 HydrophobicContact CB-CG 4.21Å; Y615-R617 HydrophobicContact CD1-CG 4.04Å; Y615-R617 PolarHBondContact O-N 3.23Å
616	N	84.8	Confident	90.6	Very high	59 Å²	59	37.8 Å²	37.8	32%	0.316	19%	0.188	S	C	.	.			trans	-78.6	87.9	-178.9	-166.4	-27.4	0	0	0	112	D564 T618	D564-N616 WeakPolarHBondContact OD1-CB 3.39Å; D564-N616 PolarHBondContact OD1-ND2 2.92Å; N616-T618 PolarHBondContact O-N 2.85Å; N616-T618 VanDerWaalsContact OD1-CB 3.26Å; N616-T618 WeakPolarHBondContact OD1-CB 3.22Å; N616-T618 PolarHBondContact OD1-N 3.04Å; N616-T618 PolarHBondContact OD1-OG1 3.25Å
617	R	89	Confident	91	Very high	52 Å²	52	32.1 Å²	32.1	20%	0.196	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	1.2	-177.6	-51.7	-179.9	71.7	-115.9	-12.2	115.2	Q477 Y478 E522 Y615 T619 R621	Q477-R617 PolarHBondContact O-NH1 3.36Å; Y478-R617 PolarHBondContact O-NH2 3.45Å; E522-R617 IonicContact OE1-CZ 3.55Å; E522-R617 IonicContact OE1-NE 3.46Å; E522-R617 PolarHBondContact OE1-NE 3.07Å; E522-R617 IonicContact OE1-NH2 2.9Å; E522-R617 PolarHBondContact OE1-NH2 2.81Å; E522-R617 IonicContact OE2-CZ 3.87Å; E522-R617 IonicContact OE2-NE 2.77Å; E522-R617 IonicContact OE2-NH2 3.71Å; Y615-R617 HydrophobicContact CD1-CG 4.04Å; Y615-R617 PolarHBondContact O-N 3.23Å; R617-T619 PolarHBondContact O-N 3.23Å; R617-R621 HydrophobicContact CB-CG 4.38Å; R617-R621 WeakPolarHBondContact O-CB 3.14Å; R617-R621 WeakPolarHBondContact O-CD 3.36Å; R617-R621 VanDerWaalsContact O-CG 3.22Å; R617-R621 WeakPolarHBondContact O-CG 3.45Å; R617-R621 PolarHBondContact O-N 3.4Å
618	T	87.8	Confident	91.2	Very high	52 Å²	52	31.5 Å²	31.5	32%	0.319	16%	0.16	S	C	.	.	H	α-helix	trans	-64.7	-41	-172	-56.2	0	0	0	0	113	N616 R622	N616-T618 PolarHBondContact O-N 2.85Å; N616-T618 VanDerWaalsContact OD1-CB 3.26Å; N616-T618 WeakPolarHBondContact OD1-CB 3.22Å; N616-T618 PolarHBondContact OD1-N 3.04Å; N616-T618 PolarHBondContact OD1-OG1 3.25Å; T618-R622 WeakPolarHBondContact O-CG 3.3Å; T618-R622 PolarHBondContact O-N 2.86Å
619	T	90.4	Very high	91.2	Very high	66 Å²	66	32.8 Å²	32.8	41%	0.405	16%	0.162	S	C	.	.	H	α-helix	trans	-67.6	-51.4	178.7	52.1	0	0	0	0	110.8	R617 R621 R622 C623	R617-T619 PolarHBondContact O-N 3.23Å; T619-R621 PolarHBondContact O-N 2.75Å; T619-R622 WeakPolarHBondContact O-CB 3.29Å; T619-R622 PolarHBondContact O-N 3.07Å; T619-R622 VanDerWaalsContact O-N 3.09Å; T619-C623 PolarHBondContact O-N 3.17Å; T619-C623 PolarHBondContact O-SG 2.81Å
620	S	93.7	Very high	91.3	Very high	8 Å²	8	32.6 Å²	32.6	6%	0.056	16%	0.161	C	C	.	.	H	α-helix	trans	-50.7	-51.2	172.9	170.8	0	0	0	0	112.3	E522 R622 C623 H624	E522-S620 WeakPolarHBondContact OE2-CB 3.03Å; E522-S620 PolarHBondContact OE2-OG 3.01Å; S620-R622 VanDerWaalsContact C-N 3.28Å; S620-R622 PolarHBondContact O-N 2.9Å; S620-C623 WeakPolarHBondContact O-CA 3.45Å; S620-C623 WeakPolarHBondContact O-CB 3.31Å; S620-C623 PolarHBondContact O-N 2.78Å; S620-H624 PolarHBondContact O-CD2 2.76Å; S620-H624 VanDerWaalsContact O-CD2 3.26Å; S620-H624 PolarHBondContact O-N 3.15Å
621	R	93.6	Very high	91.3	Very high	44 Å²	44	34.5 Å²	34.5	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-30.4	178.6	-73.4	166.7	63.5	-168.5	4.9	113.4	L475 P476 Q477 Y478 R617 T619 F625	L475-R621 PolarHBondContact O-NH2 2.67Å; P476-R621 PolarHBondContact O-NE 2.84Å; P476-R621 PolarHBondContact O-NH2 3.26Å; Q477-R621 VanDerWaalsContact OE1-CZ 3.23Å; Y478-R621 HydrophobicContact CD2-CB 4.16Å; Y478-R621 HydrophobicContact CD2-CG 4.18Å; Y478-R621 WeakPolarHBondContact CE2-O 3.45Å; R617-R621 HydrophobicContact CB-CG 4.38Å; R617-R621 WeakPolarHBondContact O-CB 3.14Å; R617-R621 WeakPolarHBondContact O-CD 3.36Å; R617-R621 VanDerWaalsContact O-CG 3.22Å; R617-R621 WeakPolarHBondContact O-CG 3.45Å; R617-R621 PolarHBondContact O-N 3.4Å; T619-R621 PolarHBondContact O-N 2.75Å; R621-F625 VanDerWaalsContact O-CB 3.3Å; R621-F625 WeakPolarHBondContact O-CB 3.46Å; R621-F625 PolarHBondContact O-N 3.2Å
622	R	94	Very high	91.3	Very high	17 Å²	17	37.4 Å²	37.4	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-73.3	-37.3	171.9	-72.7	-179.3	177.6	156	6.9	112.5	L475 T618 T619 S620 F625 A626 S845 I878	L475-R622 HydrophobicContact CD1-CG 3.57Å; L475-R622 HydrophobicContact CD2-CG 4.22Å; T618-R622 WeakPolarHBondContact O-CG 3.3Å; T618-R622 PolarHBondContact O-N 2.86Å; T619-R622 WeakPolarHBondContact O-CB 3.29Å; T619-R622 PolarHBondContact O-N 3.07Å; T619-R622 VanDerWaalsContact O-N 3.09Å; S620-R622 VanDerWaalsContact C-N 3.28Å; S620-R622 PolarHBondContact O-N 2.9Å; R622-F625 PolarHBondContact O-N 3.11Å; R622-A626 WeakPolarHBondContact O-CB 3.5Å; R622-A626 PolarHBondContact O-N 3.37Å; R622-S845 WeakPolarHBondContact CD-O 3.3Å; R622-S845 PolarHBondContact NH1-O 3.23Å; R622-I878 HydrophobicContact CB-CD1 3.97Å
623	C	96.7	Very high	91.3	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-45.4	171.4	-64.2	0	0	0	0	111.4	L518 T619 S620 A626 L627 P874	L518-C623 HydrophobicContact CD1-CB 3.54Å; L518-C623 HydrophobicContact CD2-CB 3.73Å; L518-C623 HydrophobicContact CG-CB 4.31Å; T619-C623 PolarHBondContact O-N 3.17Å; T619-C623 PolarHBondContact O-SG 2.81Å; S620-C623 WeakPolarHBondContact O-CA 3.45Å; S620-C623 WeakPolarHBondContact O-CB 3.31Å; S620-C623 PolarHBondContact O-N 2.78Å; C623-A626 PolarHBondContact O-N 2.75Å; C623-L627 WeakPolarHBondContact O-CG 3.37Å; C623-L627 PolarHBondContact O-N 3.32Å; C623-P874 HydrophobicContact CB-CB 3.81Å
624	H	96.8	Very high	91.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-47.5	173.1	-77.6	-76.2	0	0	0	112.1	Y478 S515 W519 S620 A626 L627 E628	Y478-H624 HydrophobicContact CD1-CB 3.84Å; Y478-H624 HydrophobicContact CD2-CB 3.49Å; Y478-H624 VanDerWaalsContact CD2-CB 3.49Å; Y478-H624 HydrophobicContact CE1-CB 4.15Å; Y478-H624 HydrophobicContact CE2-CB 3.8Å; Y478-H624 HydrophobicContact CG-CB 3.5Å; Y478-H624 AromaticContact CG-CG 3.94Å; S515-H624 PolarHBondContact O-CE1 2.93Å; S515-H624 VanDerWaalsContact O-CE1 3.3Å; S515-H624 PolarHBondContact OG-ND1 2.67Å; W519-H624 AromaticContact CD1-CE1 3.67Å; W519-H624 AromaticContact CD1-NE2 3.43Å; W519-H624 AromaticContact CD2-CE1 3.88Å; W519-H624 AromaticContact CE2-CE1 3.44Å; W519-H624 VanDerWaalsContact CE2-CE1 3.44Å; W519-H624 AromaticContact CE2-NE2 3.93Å; W519-H624 AromaticContact CZ2-CE1 3.91Å; W519-H624 AromaticContact NE1-CE1 3.33Å; W519-H624 PolarHBondContact NE1-CE1 3.24Å; W519-H624 VanDerWaalsContact NE1-CE1 3.33Å; W519-H624 AromaticContact NE1-NE2 3.32Å; W519-H624 PolarHBondContact NE1-NE2 3.23Å; S620-H624 PolarHBondContact O-CD2 2.76Å; S620-H624 VanDerWaalsContact O-CD2 3.26Å; S620-H624 PolarHBondContact O-N 3.15Å; H624-A626 VanDerWaalsContact C-N 3.32Å; H624-A626 PolarHBondContact O-N 2.84Å; H624-L627 WeakPolarHBondContact O-CB 3.04Å; H624-L627 PolarHBondContact O-N 3.43Å; H624-L627 VanDerWaalsContact O-N 3.11Å; H624-E628 PolarHBondContact O-N 3.34Å
625	F	94.4	Very high	91.6	Very high	26 Å²	26	38.2 Å²	38.2	11%	0.114	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-42.7	177	-169.8	-92.7	0	0	0	112.3	L475 P476 Y478 R621 R622 L627 E628 H629 Y851	L475-F625 HydrophobicContact CD2-CB 4.23Å; L475-F625 HydrophobicContact CD2-CD1 4.46Å; L475-F625 HydrophobicContact CD2-CD2 4.2Å; L475-F625 HydrophobicContact CD2-CG 4.04Å; P476-F625 HydrophobicContact CG-CD2 4.11Å; P476-F625 HydrophobicContact CG-CE2 4.32Å; Y478-F625 HydrophobicContact CE2-CB 4.02Å; Y478-F625 HydrophobicContact CE2-CD2 4.48Å; Y478-F625 WeakPolarHBondContact OH-CA 3.33Å; Y478-F625 WeakPolarHBondContact OH-CD2 3.42Å; R621-F625 VanDerWaalsContact O-CB 3.3Å; R621-F625 WeakPolarHBondContact O-CB 3.46Å; R621-F625 PolarHBondContact O-N 3.2Å; R622-F625 PolarHBondContact O-N 3.11Å; F625-L627 VanDerWaalsContact C-N 3.35Å; F625-L627 PolarHBondContact O-N 2.93Å; F625-E628 PolarHBondContact O-N 2.88Å; F625-E628 VanDerWaalsContact O-N 3.17Å; F625-H629 AromaticContact CD1-CD2 3.7Å; F625-H629 AromaticContact CE1-CD2 3.28Å; F625-H629 WeakPolarHBondContact CE1-CD2 3.3Å; F625-H629 AromaticContact CE1-CG 3.84Å; F625-H629 AromaticContact CE1-NE2 3.47Å; F625-H629 WeakPolarHBondContact CE1-NE2 3.28Å; F625-H629 AromaticContact CE2-CD2 3.87Å; F625-H629 AromaticContact CE2-NE2 3.6Å; F625-H629 AromaticContact CZ-CD2 3.42Å; F625-H629 VanDerWaalsContact CZ-CD2 3.42Å; F625-H629 WeakPolarHBondContact CZ-CD2 3.39Å; F625-H629 AromaticContact CZ-CE1 3.85Å; F625-H629 AromaticContact CZ-NE2 3.1Å; F625-H629 WeakPolarHBondContact CZ-NE2 3.46Å; F625-H629 PolarHBondContact O-CD2 3.01Å; F625-H629 PolarHBondContact O-N 3.13Å; F625-Y851 HydrophobicContact CD1-CD1 4.38Å; F625-Y851 AromaticContact CD1-CD2 3.85Å; F625-Y851 HydrophobicContact CD1-CD2 3.85Å; F625-Y851 HydrophobicContact CD1-CE2 4.3Å; F625-Y851 AromaticContact CD1-CG 3.93Å; F625-Y851 HydrophobicContact CD1-CG 3.93Å; F625-Y851 VanDerWaalsContact CE1-CB 3.48Å; F625-Y851 AromaticContact CE1-CD1 3.65Å; F625-Y851 HydrophobicContact CE1-CD1 3.65Å; F625-Y851 AromaticContact CE1-CD2 3.84Å; F625-Y851 HydrophobicContact CE1-CD2 3.84Å; F625-Y851 HydrophobicContact CE1-CE1 4.28Å; F625-Y851 HydrophobicContact CE1-CE2 4.49Å; F625-Y851 AromaticContact CE1-CG 3.4Å; F625-Y851 HydrophobicContact CE1-CG 3.4Å; F625-Y851 VanDerWaalsContact CE1-CG 3.4Å; F625-Y851 HydrophobicContact CZ-CG 4.43Å
626	A	94.7	Very high	91.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-40	174.5	0	0	0	0	0	112.1	R622 C623 H624 E628 H629 V630 L877 I878	R622-A626 WeakPolarHBondContact O-CB 3.5Å; R622-A626 PolarHBondContact O-N 3.37Å; C623-A626 PolarHBondContact O-N 2.75Å; H624-A626 VanDerWaalsContact C-N 3.32Å; H624-A626 PolarHBondContact O-N 2.84Å; A626-E628 PolarHBondContact O-N 3.23Å; A626-H629 PolarHBondContact O-N 3.16Å; A626-V630 WeakPolarHBondContact O-CB 3.33Å; A626-V630 WeakPolarHBondContact O-CG1 3.36Å; A626-V630 PolarHBondContact O-N 3.29Å; A626-L877 HydrophobicContact CB-CB 4.19Å; A626-I878 HydrophobicContact CB-CB 4.25Å; A626-I878 HydrophobicContact CB-CG1 3.74Å
627	L	95.1	Very high	92.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-24.6	175.2	-69.4	166.4	0	0	0	113.9	Y510 F514 L518 C623 H624 F625 P874 L877	Y510-L627 HydrophobicContact CD1-CD2 4.24Å; Y510-L627 HydrophobicContact CE1-CD2 3.87Å; F514-L627 HydrophobicContact CB-CD1 3.49Å; F514-L627 VanDerWaalsContact CB-CD1 3.49Å; F514-L627 HydrophobicContact CB-CD2 3.6Å; F514-L627 HydrophobicContact CB-CG 4.21Å; F514-L627 HydrophobicContact CD2-CD2 4.17Å; F514-L627 HydrophobicContact CG-CD2 4.17Å; L518-L627 HydrophobicContact CD1-CD1 3.59Å; C623-L627 WeakPolarHBondContact O-CG 3.37Å; C623-L627 PolarHBondContact O-N 3.32Å; H624-L627 WeakPolarHBondContact O-CB 3.04Å; H624-L627 PolarHBondContact O-N 3.43Å; H624-L627 VanDerWaalsContact O-N 3.11Å; F625-L627 VanDerWaalsContact C-N 3.35Å; F625-L627 PolarHBondContact O-N 2.93Å; L627-P874 HydrophobicContact CD1-CB 4.15Å; L627-P874 HydrophobicContact CD1-CG 4.25Å; L627-P874 HydrophobicContact CD2-CB 4.31Å; L627-P874 HydrophobicContact CD2-CG 4.31Å; L627-P874 HydrophobicContact CG-CB 4.18Å; L627-L877 HydrophobicContact CD2-CD1 3.85Å
628	E	92.4	Very high	92.4	Very high	68 Å²	68	33.6 Å²	33.6	32%	0.318	18%	0.175	S	C	.	.	H	α-helix	trans	-80.6	-44.3	171.3	-53	-157.2	119.3	0	0	111.6	Y478 K511 H624 F625 A626	Y478-E628 HydrophobicContact CE1-CG 4.25Å; Y478-E628 VanDerWaalsContact CE1-OE2 3.24Å; Y478-E628 WeakPolarHBondContact CE1-OE2 3.43Å; Y478-E628 VanDerWaalsContact CZ-OE2 3.3Å; Y478-E628 PolarHBondContact OH-OE2 3.24Å; K511-E628 HydrophobicContact CD-CG 4.38Å; K511-E628 VanDerWaalsContact CE-OE1 3.23Å; K511-E628 WeakPolarHBondContact CE-OE1 3.21Å; K511-E628 IonicContact NZ-OE1 3.7Å; K511-E628 PolarHBondContact NZ-OE1 3.16Å; H624-E628 PolarHBondContact O-N 3.34Å; F625-E628 PolarHBondContact O-N 2.88Å; F625-E628 VanDerWaalsContact O-N 3.17Å; A626-E628 PolarHBondContact O-N 3.23Å
629	H	89	Confident	92.7	Very high	75 Å²	75	31.5 Å²	31.5	35%	0.347	16%	0.161	S	C	.	.	H	α-helix	trans	-75.3	-37.3	-175.4	-85.2	-95.2	0	0	0	113.8	F625 A626 I631 H632 Y851	F625-H629 AromaticContact CD1-CD2 3.7Å; F625-H629 AromaticContact CE1-CD2 3.28Å; F625-H629 WeakPolarHBondContact CE1-CD2 3.3Å; F625-H629 AromaticContact CE1-CG 3.84Å; F625-H629 AromaticContact CE1-NE2 3.47Å; F625-H629 WeakPolarHBondContact CE1-NE2 3.28Å; F625-H629 AromaticContact CE2-CD2 3.87Å; F625-H629 AromaticContact CE2-NE2 3.6Å; F625-H629 AromaticContact CZ-CD2 3.42Å; F625-H629 VanDerWaalsContact CZ-CD2 3.42Å; F625-H629 WeakPolarHBondContact CZ-CD2 3.39Å; F625-H629 AromaticContact CZ-CE1 3.85Å; F625-H629 AromaticContact CZ-NE2 3.1Å; F625-H629 WeakPolarHBondContact CZ-NE2 3.46Å; F625-H629 PolarHBondContact O-CD2 3.01Å; F625-H629 PolarHBondContact O-N 3.13Å; A626-H629 PolarHBondContact O-N 3.16Å; H629-I631 PolarHBondContact O-N 3.12Å; H629-H632 PolarHBondContact O-ND1 3.04Å; H629-Y851 HydrophobicContact CB-CE1 4.43Å
630	V	91.5	Very high	92.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-63.6	-15.1	-173	74.3	0	0	0	0	114.5	Y510 A626 H632 L633 L638 L877	Y510-V630 HydrophobicContact CE1-CG1 4.15Å; A626-V630 WeakPolarHBondContact O-CB 3.33Å; A626-V630 WeakPolarHBondContact O-CG1 3.36Å; A626-V630 PolarHBondContact O-N 3.29Å; V630-H632 PolarHBondContact O-N 2.99Å; V630-L633 HydrophobicContact CG2-CD1 3.71Å; V630-L633 HydrophobicContact CG2-CG 4.31Å; V630-L633 WeakPolarHBondContact O-CB 3.26Å; V630-L633 PolarHBondContact O-N 2.98Å; V630-L638 HydrophobicContact CG1-CD1 4.25Å; V630-L638 HydrophobicContact CG2-CD1 4.28Å; V630-L638 HydrophobicContact CG2-CD2 3.94Å; V630-L877 HydrophobicContact CB-CB 4.37Å; V630-L877 HydrophobicContact CB-CD1 4.23Å; V630-L877 HydrophobicContact CG1-CD1 3.73Å; V630-L877 HydrophobicContact CG2-CB 4.03Å; V630-L877 HydrophobicContact CG2-CD1 4.05Å; V630-L877 HydrophobicContact CG2-CD2 4.17Å; V630-L877 HydrophobicContact CG2-CG 4.26Å
631	I	89.7	Confident	92.5	Very high	87 Å²	87	33.5 Å²	33.5	45%	0.446	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-54.4	-31.1	-177.8	-61.7	175.7	0	0	0	111.6	K511 H629 L633 G634	K511-I631 HydrophobicContact CD-CD1 4.35Å; H629-I631 PolarHBondContact O-N 3.12Å; I631-L633 VanDerWaalsContact C-N 3.3Å; I631-L633 PolarHBondContact O-N 3.04Å; I631-G634 PolarHBondContact O-N 3.47Å; I631-G634 VanDerWaalsContact O-N 3.09Å
632	H	90.9	Very high	92.1	Very high	64 Å²	64	38.2 Å²	38.2	30%	0.296	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-65.2	-25.5	177.1	76.8	-89.4	0	0	0	114.5	H629 V630 G634 V857 G881 M883	H629-H632 PolarHBondContact O-ND1 3.04Å; V630-H632 PolarHBondContact O-N 2.99Å; H632-G634 PolarHBondContact O-N 3.29Å; H632-V857 VanDerWaalsContact NE2-CG1 3.34Å; H632-V857 WeakPolarHBondContact NE2-CG1 3.28Å; H632-G881 PolarHBondContact CE1-O 3.47Å; H632-M883 PolarHBondContact NE2-O 3.43Å; H632-M883 VanDerWaalsContact NE2-O 3.12Å
633	L	91.2	Very high	91.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-70.9	-20.2	174.9	-60	-179.2	0	0	0	112.1	V630 I631 V637 L880 D885	V630-L633 HydrophobicContact CG2-CD1 3.71Å; V630-L633 HydrophobicContact CG2-CG 4.31Å; V630-L633 WeakPolarHBondContact O-CB 3.26Å; V630-L633 PolarHBondContact O-N 2.98Å; I631-L633 VanDerWaalsContact C-N 3.3Å; I631-L633 PolarHBondContact O-N 3.04Å; L633-V637 HydrophobicContact CB-CB 3.83Å; L633-V637 HydrophobicContact CB-CG1 4.26Å; L633-V637 HydrophobicContact CB-CG2 3.92Å; L633-V637 HydrophobicContact CD1-CG1 4.08Å; L633-L880 HydrophobicContact CD1-CB 4.06Å; L633-D885 HydrophobicContact CD2-CB 4.27Å
634	G	90.4	Very high	91.4	Very high	20 Å²	20	44.8 Å²	44.8	21%	0.206	22%	0.223	C	C	.	.	H	α-helix	trans	57.7	-159.9	168.4	0	0	0	0	0	115.5	I631 H632 K636 V637 L638	I631-G634 PolarHBondContact O-N 3.47Å; I631-G634 VanDerWaalsContact O-N 3.09Å; H632-G634 PolarHBondContact O-N 3.29Å; G634-K636 VanDerWaalsContact C-N 3.3Å; G634-K636 PolarHBondContact O-N 3.19Å; G634-V637 PolarHBondContact O-N 3Å; G634-L638 WeakPolarHBondContact O-CB 3.35Å; G634-L638 PolarHBondContact O-N 3.18Å
635	V	90.9	Very high	91.1	Very high	78 Å²	78	50 Å²	50	47%	0.473	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-39.6	-175.5	177.7	0	0	0	0	110.9	M507 V637 F639	M507-V635 HydrophobicContact CE-CB 4.36Å; M507-V635 HydrophobicContact CE-CG2 3.77Å; M507-V635 VanDerWaalsContact CE-N 3.32Å; V635-V637 PolarHBondContact O-N 3.26Å; V635-V637 VanDerWaalsContact O-N 3.09Å; V635-F639 HydrophobicContact CG1-CB 4.04Å; V635-F639 WeakPolarHBondContact CG1-O 3.5Å; V635-F639 CarbonylContact O-C 3.56Å; V635-F639 VanDerWaalsContact O-CA 3.28Å; V635-F639 WeakPolarHBondContact O-CA 3.44Å; V635-F639 PolarHBondContact O-N 2.76Å
636	K	88.8	Confident	90.8	Very high	88 Å²	88	51.6 Å²	51.6	38%	0.383	26%	0.258	S	S	.	.	H	α-helix	trans	-53.1	-34.5	-178.4	-60.3	177.7	-170.5	164	0	114.1	G634 P743 L744	G634-K636 VanDerWaalsContact C-N 3.3Å; G634-K636 PolarHBondContact O-N 3.19Å; K636-P743 HydrophobicContact CB-CG 4.08Å; K636-P743 HydrophobicContact CD-CG 4.21Å; K636-L744 HydrophobicContact CB-CD1 4.28Å; K636-L744 WeakPolarHBondContact O-CD1 3.43Å; K636-L744 WeakPolarHBondContact O-CG 3.19Å
637	V	93.3	Very high	90.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-102.9	-44.8	-178.3	178.6	0	0	0	0	111.6	L633 G634 V635 P640 P743 P745 L880 I890 F917	L633-V637 HydrophobicContact CB-CB 3.83Å; L633-V637 HydrophobicContact CB-CG1 4.26Å; L633-V637 HydrophobicContact CB-CG2 3.92Å; L633-V637 HydrophobicContact CD1-CG1 4.08Å; G634-V637 PolarHBondContact O-N 3Å; V635-V637 PolarHBondContact O-N 3.26Å; V635-V637 VanDerWaalsContact O-N 3.09Å; V637-P640 WeakPolarHBondContact O-CD 3.27Å; V637-P743 HydrophobicContact CG2-CB 3.8Å; V637-P743 HydrophobicContact CG2-CG 3.64Å; V637-P745 HydrophobicContact CG1-CG 3.93Å; V637-L880 HydrophobicContact CG1-CD2 4.39Å; V637-I890 HydrophobicContact CG1-CD1 3.53Å; V637-I890 HydrophobicContact CG2-CD1 4.13Å; V637-F917 HydrophobicContact CG1-CZ 4.33Å; V637-F917 WeakPolarHBondContact O-CZ 3.37Å
638	L	94.2	Very high	90.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-84.4	-27.7	-172.5	-59.7	178.1	0	0	0	112.8	M507 Y510 V630 G634 L877 F917 R920	M507-L638 HydrophobicContact CE-CB 4.26Å; M507-L638 HydrophobicContact CE-CD1 4.29Å; M507-L638 HydrophobicContact SD-CD1 4.3Å; Y510-L638 HydrophobicContact CD1-CD1 4.3Å; Y510-L638 HydrophobicContact CE1-CD1 3.91Å; Y510-L638 HydrophobicContact CE1-CD2 4.45Å; V630-L638 HydrophobicContact CG1-CD1 4.25Å; V630-L638 HydrophobicContact CG2-CD1 4.28Å; V630-L638 HydrophobicContact CG2-CD2 3.94Å; G634-L638 WeakPolarHBondContact O-CB 3.35Å; G634-L638 PolarHBondContact O-N 3.18Å; L638-L877 HydrophobicContact CD2-CD2 3.82Å; L638-F917 HydrophobicContact CD2-CE2 4.12Å; L638-F917 HydrophobicContact CD2-CZ 4.2Å; L638-R920 VanDerWaalsContact O-CZ 3.26Å; L638-R920 PolarHBondContact O-NH1 3.41Å; L638-R920 PolarHBondContact O-NH2 3.47Å
639	F	94.9	Very high	89.9	Confident	9 Å²	9	57.6 Å²	57.6	4%	0.039	30%	0.301	C	S	.	.	S	Bend	trans	-139.3	54.4	-176.6	-65.6	-91.7	0	0	0	111.6	L505 N506 M507 Y510 V635 E641	L505-F639 HydrophobicContact CD2-CE1 4.5Å; L505-F639 HydrophobicContact CD2-CZ 4.27Å; L505-F639 HydrophobicContact CG-CE1 4.41Å; L505-F639 HydrophobicContact CG-CZ 4.11Å; L505-F639 WeakPolarHBondContact O-CE1 3.37Å; N506-F639 VanDerWaalsContact O-CZ 3.32Å; N506-F639 WeakPolarHBondContact O-CZ 3.42Å; M507-F639 HydrophobicContact CB-CE2 4.46Å; M507-F639 HydrophobicContact CE-CD2 3.62Å; M507-F639 HydrophobicContact CE-CE2 4.07Å; M507-F639 HydrophobicContact SD-CD2 4.42Å; M507-F639 HydrophobicContact SD-CE2 4.28Å; Y510-F639 AromaticContact CD2-CE2 3.69Å; Y510-F639 HydrophobicContact CD2-CE2 3.69Å; Y510-F639 AromaticContact CD2-CZ 3.65Å; Y510-F639 HydrophobicContact CD2-CZ 3.65Å; Y510-F639 HydrophobicContact CE2-CE2 4.04Å; Y510-F639 HydrophobicContact CE2-CZ 4.09Å; Y510-F639 HydrophobicContact CG-CE2 4.36Å; V635-F639 HydrophobicContact CG1-CB 4.04Å; V635-F639 WeakPolarHBondContact CG1-O 3.5Å; V635-F639 CarbonylContact O-C 3.56Å; V635-F639 VanDerWaalsContact O-CA 3.28Å; V635-F639 WeakPolarHBondContact O-CA 3.44Å; V635-F639 PolarHBondContact O-N 2.76Å; F639-E641 PolarHBondContact O-N 2.69Å
640	P	92.1	Very high	89.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.294	C	S	.	.			trans	-65.2	126	-174.2	24.8	-34.2	0	0	0	112.4	V637 L744 L921 Y927	V637-P640 WeakPolarHBondContact O-CD 3.27Å; P640-L744 HydrophobicContact CB-CD2 4.29Å; P640-L744 HydrophobicContact CB-CG 4.17Å; P640-L921 HydrophobicContact CG-CD2 3.5Å; P640-L921 VanDerWaalsContact CG-CD2 3.5Å; P640-Y927 HydrophobicContact CB-CE2 3.92Å; P640-Y927 HydrophobicContact CG-CD2 4.3Å; P640-Y927 HydrophobicContact CG-CE2 3.47Å; P640-Y927 VanDerWaalsContact CG-CE2 3.47Å
641	E	88.4	Confident	88.8	Confident	115 Å²	115	61.5 Å²	61.5	54%	0.537	33%	0.33	S	S	.	.			trans	-134.1	-43	-175.8	-75.9	167.5	-170.8	0	0	111.3	F639 R924	F639-E641 PolarHBondContact O-N 2.69Å; E641-R924 IonicContact OE1-CZ 3.84Å; E641-R924 IonicContact OE1-NH1 2.93Å; E641-R924 PolarHBondContact OE1-NH1 3.22Å
642	E	85.7	Confident	87.5	Confident	143 Å²	143	58.3 Å²	58.3	67%	0.668	32%	0.319	S	S	*	.	S	Bend	trans	-96.2	147.6	169.6	-64	-173	155.1	0	0	112.4
643	I	88.3	Confident	86.4	Confident	59 Å²	59	62 Å²	62	30%	0.303	34%	0.341	S	S	.	.			trans	-110.8	110.1	174.3	-53.7	178.5	0	0	0	108.8	L645 C741 L744 N941 L944	I643-L645 HydrophobicContact CG2-CD2 4.41Å; I643-C741 HydrophobicContact CG2-CB 4.48Å; I643-C741 VanDerWaalsContact CG2-SG 3.56Å; I643-L744 HydrophobicContact CG1-CD2 4.37Å; I643-N941 WeakPolarHBondContact CD1-ND2 3.37Å; I643-L944 HydrophobicContact CD1-CD1 3.46Å; I643-L944 VanDerWaalsContact CD1-CD1 3.46Å; I643-L944 HydrophobicContact CD1-CG 4Å; I643-L944 HydrophobicContact CG1-CD1 3.87Å
644	I	86.9	Confident	85.5	Confident	105 Å²	105	64.2 Å²	64.2	54%	0.538	35%	0.349	S	S	.	.			trans	-105.4	121.8	176.7	-57.9	175.4	0	0	0	108.1
645	L	89.6	Confident	83.9	Confident	109 Å²	109	66.1 Å²	66.1	57%	0.571	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-83.3	124.4	177.3	-60.4	179.1	0	0	0	110.6	I643 D740 L943	I643-L645 HydrophobicContact CG2-CD2 4.41Å; L645-D740 CarbonylContact C-O 3.54Å; L645-D740 WeakPolarHBondContact CA-O 3.47Å; L645-D740 HydrophobicContact CD2-CB 4.08Å; L645-L943 HydrophobicContact CD2-CD1 4.26Å; L645-L943 HydrophobicContact CD2-CD2 4.3Å
646	Q	89.1	Confident	81.9	Confident	60 Å²	60	68.2 Å²	68.2	28%	0.28	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-85.9	172.5	164.3	-58.2	-160.3	14.4	0	0	110.7	D740 R742 I886	Q646-D740 PolarHBondContact N-O 3.06Å; Q646-R742 PolarHBondContact NE2-O 3Å; Q646-R742 VanDerWaalsContact OE1-NH2 3.1Å; Q646-I886 PolarHBondContact NE2-O 3.42Å
647	S	87.7	Confident	79.4	Confident	88 Å²	88	68 Å²	68	62%	0.615	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-62.4	139.7	163.6	52.4	0	0	0	0	111	R742	S647-R742 PolarHBondContact O-NH2 2.91Å
648	P	88.1	Confident	76.7	Confident	61 Å²	61	75.6 Å²	75.6	40%	0.396	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-57.4	138	172.4	-24.6	33.7	0	0	0	111.8	V650 T651 S738	P648-V650 VanDerWaalsContact C-N 3.3Å; P648-T651 HydrophobicContact CB-CG2 4.35Å; P648-S738 CarbonylContact C-O 3.2Å; P648-S738 VanDerWaalsContact CA-O 3.26Å; P648-S738 WeakPolarHBondContact CA-O 3.36Å
649	Q	87.1	Confident	74.1	Confident	46 Å²	46	78.6 Å²	78.6	22%	0.215	43%	0.426	C	S	.	.	S	Bend	trans	-68	-32.3	175.4	-64.3	173.9	-102.6	0	0	111.9	S738 R742 L771 H862	Q649-S738 PolarHBondContact N-O 3.17Å; Q649-R742 VanDerWaalsContact CG-CZ 3.43Å; Q649-R742 VanDerWaalsContact OE1-NE 3.11Å; Q649-L771 HydrophobicContact CB-CD1 4.03Å; Q649-L771 HydrophobicContact CB-CD2 4.22Å; Q649-L771 VanDerWaalsContact NE2-CD1 3.31Å; Q649-H862 PolarHBondContact NE2-NE2 2.92Å
650	V	84.4	Confident	71.1	Confident	31 Å²	31	83.9 Å²	83.9	19%	0.188	46%	0.459	C	S	.	.			trans	-139.8	115.3	178.3	-169.8	0	0	0	0	110.6	P648 G652 M718 L737 A770 L771	P648-V650 VanDerWaalsContact C-N 3.3Å; V650-G652 VanDerWaalsContact C-N 3.33Å; V650-G652 PolarHBondContact O-N 2.98Å; V650-G652 VanDerWaalsContact O-N 3.16Å; V650-M718 HydrophobicContact CG1-CE 4.28Å; V650-M718 HydrophobicContact CG1-SD 3.69Å; V650-L737 HydrophobicContact CB-CD1 4.4Å; V650-L737 HydrophobicContact CB-CD2 4.25Å; V650-L737 HydrophobicContact CB-CG 3.97Å; V650-L737 HydrophobicContact CG1-CD2 4.33Å; V650-L737 HydrophobicContact CG2-CD1 3.9Å; V650-L737 HydrophobicContact CG2-CG 4Å; V650-A770 HydrophobicContact CG1-CB 4.35Å; V650-A770 HydrophobicContact CG2-CB 3.92Å; V650-L771 HydrophobicContact CG2-CD1 4.46Å; V650-L771 HydrophobicContact CG2-CD2 3.63Å; V650-L771 HydrophobicContact CG2-CG 3.9Å
651	T	73.6	Confident	68.2	Low	125 Å²	125	93 Å²	93	77%	0.767	50%	0.498	S	S	*	.			trans	-86.2	71.4	171.1	47.3	0	0	0	0	110.7	P648 N653	P648-T651 HydrophobicContact CB-CG2 4.35Å; T651-N653 PolarHBondContact O-N 2.88Å
652	G	62.6	Low	65.4	Low	21 Å²	21	92.9 Å²	92.9	22%	0.216	51%	0.51	C	S	.	.			trans	-74.8	118.9	-175.9	0	0	0	0	0	114.1	V650 W654	V650-G652 VanDerWaalsContact C-N 3.33Å; V650-G652 PolarHBondContact O-N 2.98Å; V650-G652 VanDerWaalsContact O-N 3.16Å; G652-W654 PolarHBondContact O-N 3.24Å
653	N	68.1	Low	62.5	Low	142 Å²	142	91.1 Å²	91.1	76%	0.759	51%	0.514	S	S	*	.			trans	-76.3	96.3	163.8	-83	-7.3	0	0	0	109.7	T651	T651-N653 PolarHBondContact O-N 2.88Å
654	W	72.4	Confident	59.4	Low	48 Å²	48	91.9 Å²	91.9	18%	0.182	54%	0.536	C	S	.	.	B	Isolated β-bridge	trans	-76.2	141.6	178.4	-64.4	89.4	0	0	0	112.4	G652 H656 M718 F720 K734 L737	G652-W654 PolarHBondContact O-N 3.24Å; W654-H656 PolarHBondContact O-N 2.9Å; W654-M718 HydrophobicContact CD2-CB 4.17Å; W654-M718 HydrophobicContact CE3-CB 3.99Å; W654-M718 HydrophobicContact CH2-CB 4.3Å; W654-M718 HydrophobicContact CZ2-CB 4.46Å; W654-M718 HydrophobicContact CZ3-CB 4.06Å; W654-F720 HydrophobicContact CE3-CD2 4.34Å; W654-F720 HydrophobicContact CE3-CE1 4.5Å; W654-F720 AromaticContact CE3-CE2 3.71Å; W654-F720 HydrophobicContact CE3-CE2 3.71Å; W654-F720 AromaticContact CE3-CZ 3.8Å; W654-F720 HydrophobicContact CE3-CZ 3.8Å; W654-F720 HydrophobicContact CH2-CD1 4.28Å; W654-F720 AromaticContact CH2-CE1 3.65Å; W654-F720 HydrophobicContact CH2-CE1 3.65Å; W654-F720 HydrophobicContact CH2-CE2 4.32Å; W654-F720 AromaticContact CH2-CZ 3.67Å; W654-F720 HydrophobicContact CH2-CZ 3.67Å; W654-F720 HydrophobicContact CZ2-CZ 4.47Å; W654-F720 AromaticContact CZ3-CD1 3.98Å; W654-F720 HydrophobicContact CZ3-CD1 3.98Å; W654-F720 AromaticContact CZ3-CD2 3.92Å; W654-F720 HydrophobicContact CZ3-CD2 3.92Å; W654-F720 AromaticContact CZ3-CE1 3.56Å; W654-F720 HydrophobicContact CZ3-CE1 3.56Å; W654-F720 AromaticContact CZ3-CE2 3.48Å; W654-F720 HydrophobicContact CZ3-CE2 3.48Å; W654-F720 VanDerWaalsContact CZ3-CE2 3.48Å; W654-F720 HydrophobicContact CZ3-CG 4.15Å; W654-F720 AromaticContact CZ3-CZ 3.29Å; W654-F720 HydrophobicContact CZ3-CZ 3.29Å; W654-K734 HydrophobicContact CD2-CG 4.35Å; W654-K734 HydrophobicContact CH2-CG 4.34Å; W654-K734 HydrophobicContact CZ2-CG 3.6Å; W654-L737 HydrophobicContact CH2-CD2 4.37Å; W654-L737 HydrophobicContact CZ2-CD2 3.79Å
655	N	56.6	Low	56.4	Low	61 Å²	61	96.7 Å²	96.7	33%	0.326	56%	0.556	S	S	.	*			trans	-74.4	90.4	175	-83.4	-26.9	0	0	0	111.7	A657 E719	N655-A657 PolarHBondContact O-N 2.85Å; N655-A657 VanDerWaalsContact O-N 3.08Å; N655-E719 PolarHBondContact ND2-OE1 3.33Å
656	H	47.3	Very low	53.1	Low	121 Å²	121	96.9 Å²	96.9	56%	0.56	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-67.6	0.5	173.5	-90.2	-62.1	0	0	0	115.3	W654 Q658 D659	W654-H656 PolarHBondContact O-N 2.9Å; H656-Q658 PolarHBondContact O-N 3.34Å; H656-Q658 VanDerWaalsContact O-N 3.09Å; H656-D659 IonicContact CE1-OD2 3.63Å; H656-D659 IonicContact CG-OD2 3.27Å; H656-D659 IonicContact ND1-OD2 2.65Å; H656-D659 PolarHBondContact ND1-OD2 2.8Å; H656-D659 PolarHBondContact O-N 3.07Å
657	A	38.1	Very low	49.9	Very low	84 Å²	84	100.4 Å²	100.4	69%	0.694	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-69.1	-7.3	-170.6	0	0	0	0	0	115.7	N655	N655-A657 PolarHBondContact O-N 2.85Å; N655-A657 VanDerWaalsContact O-N 3.08Å
658	Q	36.1	Very low	46.9	Very low	160 Å²	160	102 Å²	102	75%	0.748	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-95.6	-24.3	176	-69.1	-170.3	-4.6	0	0	113.6	H656 T660	H656-Q658 PolarHBondContact O-N 3.34Å; H656-Q658 VanDerWaalsContact O-N 3.09Å; Q658-T660 VanDerWaalsContact C-N 3.25Å; Q658-T660 PolarHBondContact O-N 2.85Å
659	D	40.4	Very low	43.7	Very low	63 Å²	63	108.7 Å²	108.7	34%	0.337	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-73.1	-16.4	-169.6	-54	-37.4	0	0	0	113	H656 K730	H656-D659 IonicContact CE1-OD2 3.63Å; H656-D659 IonicContact CG-OD2 3.27Å; H656-D659 IonicContact ND1-OD2 2.65Å; H656-D659 PolarHBondContact ND1-OD2 2.8Å; H656-D659 PolarHBondContact O-N 3.07Å; D659-K730 IonicContact OD1-NZ 2.67Å
660	T	29.9	Very low	40.5	Very low	119 Å²	119	115.5 Å²	115.5	73%	0.73	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-95.8	20.6	-173.2	-24.1	0	0	0	0	114.8	Q658	Q658-T660 VanDerWaalsContact C-N 3.25Å; Q658-T660 PolarHBondContact O-N 2.85Å
661	K	33	Very low	37.6	Very low	192 Å²	192	122.3 Å²	122.3	84%	0.835	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-108.1	1.5	179.9	-77.1	-168.9	176.2	-178.9	0	116
662	S	29.7	Very low	35	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	69%	0.694	S	S	*	*	S	Bend	trans	-134.2	28.9	-175	61.5	0	0	0	0	115.9
663	S	23.5	Very low	33	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	73%	0.725	S	S	*	*	S	Bend	trans	-158.4	138.1	166.1	62.8	0	0	0	0	113.2
664	G	24.4	Very low	30.7	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	72%	0.723	S	S	*	*			trans	95	96.3	161.6	0	0	0	0	0	116	S666	G664-S666 PolarHBondContact O-N 2.94Å
665	Q	22.6	Very low	28.2	Very low	206 Å²	206	139.8 Å²	139.8	96%	0.963	75%	0.754	S	S	*	*			trans	-66	116.9	152.3	-68.4	172.3	-14.3	0	0	108.1
666	S	21.6	Very low	26.4	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	77%	0.766	S	S	*	*			trans	-126.7	111.5	165.8	-174	0	0	0	0	109.4	G664 S668	G664-S666 PolarHBondContact O-N 2.94Å; S666-S668 PolarHBondContact O-N 2.89Å
667	T	20.2	Very low	25.1	Very low	133 Å²	133	141.5 Å²	141.5	82%	0.816	77%	0.77	S	S	*	*			trans	-85.1	111.3	179.8	51.6	0	0	0	0	110.7
668	S	24.5	Very low	24.2	Very low	123 Å²	123	145.5 Å²	145.5	86%	0.86	78%	0.775	S	S	*	*			trans	-126.7	122.9	154.5	-103.2	0	0	0	0	109.8	S666	S666-S668 PolarHBondContact O-N 2.89Å
669	K	21.7	Very low	23.5	Very low	200 Å²	200	142.1 Å²	142.1	87%	0.87	77%	0.774	S	S	*	*			trans	-83.4	154.5	-173.5	-70.9	171.4	179.7	169.5	0	110.9	N671	K669-N671 PolarHBondContact O-N 2.81Å
670	K	19.7	Very low	22.5	Very low	189 Å²	189	147.3 Å²	147.3	82%	0.822	80%	0.796	S	S	*	*			trans	-29	121.1	161.2	-61.8	165.6	177.9	171.4	0	112.7
671	N	23.7	Very low	22	Very low	174 Å²	174	150.7 Å²	150.7	93%	0.93	80%	0.803	S	S	*	*			trans	-97	137.3	140.5	-96.6	-14.5	0	0	0	108.4	K669	K669-N671 PolarHBondContact O-N 2.81Å
672	R	19.1	Very low	21.4	Very low	221 Å²	221	145.1 Å²	145.1	83%	0.834	80%	0.801	S	S	*	*			trans	-158.3	145.3	-173.6	-173.5	-172.1	-167.4	-163.2	6.2	106
673	K	21.4	Very low	21	Very low	197 Å²	197	145.4 Å²	145.4	86%	0.857	80%	0.798	S	S	*	*			trans	97.2	143.5	-159.4	-67.3	173.6	179.3	-172	0	110.6
674	T	19.8	Very low	20.8	Very low	118 Å²	118	148.7 Å²	148.7	72%	0.724	80%	0.802	S	S	*	*			cis	-149.2	149.6	-4.7	10.9	0	0	0	0	106.8
675	M	18.4	Very low	20.7	Very low	168 Å²	168	153.3 Å²	153.3	83%	0.828	80%	0.803	S	S	*	*				43.2	137.5	84.5	-76.4	-161.7	134.7	0	0	114.7
676	T	18.8	Very low	20.6	Very low	94 Å²	94	154.4 Å²	154.4	58%	0.577	80%	0.798	S	S	*	*			cis	-158.5	-166.4	-17.3	-54.8	0	0	0	0	104.4
677	D	20.6	Very low	20.7	Very low	123 Å²	123	161 Å²	161	66%	0.658	81%	0.806	S	S	*	*			trans	73.3	153.4	156.7	-55.9	-44.1	0	0	0	116.6
678	Q	20.1	Very low	20.9	Very low	169 Å²	169	161 Å²	161	79%	0.79	81%	0.805	S	S	*	*			cis	175.4	146.3	-36.8	-112.7	-175.2	93.6	0	0	105.1
679	A	19.6	Very low	20.9	Very low	88 Å²	88	158.7 Å²	158.7	73%	0.727	80%	0.801	S	S	*	*			trans	75.6	159.7	151.8	0	0	0	0	0	122
680	E	19.6	Very low	21	Very low	173 Å²	173	156.6 Å²	156.6	81%	0.808	80%	0.799	S	S	*	*			trans	83.6	99.2	156.7	-46.9	-137.7	135.9	0	0	121.5
681	H	19.2	Very low	21.3	Very low	189 Å²	189	155.8 Å²	155.8	88%	0.875	80%	0.796	S	S	*	*				30.1	125.7	126	-64.7	-81.1	0	0	0	120.8
682	G	21.6	Very low	21.4	Very low	76 Å²	76	153.4 Å²	153.4	78%	0.784	78%	0.783	S	S	*	*			trans	-169.8	51.9	176	0	0	0	0	0	117.2
683	T	20	Very low	21.4	Very low	118 Å²	118	150.9 Å²	150.9	72%	0.724	79%	0.785	S	S	*	*			trans	29.3	124.5	143.9	-47.5	0	0	0	0	122.3
684	E	20.1	Very low	21.7	Very low	175 Å²	175	147.1 Å²	147.1	82%	0.818	78%	0.78	S	S	*	*			trans	97.5	144.1	141.9	-88.2	162.1	-162.2	0	0	126.3
685	E	22	Very low	21.8	Very low	171 Å²	171	148.4 Å²	148.4	80%	0.799	79%	0.788	S	S	*	*			trans	60.9	72.4	153	-57.2	-119.1	117.3	0	0	121.9
686	R	21.2	Very low	21.9	Very low	229 Å²	229	148.1 Å²	148.1	86%	0.864	79%	0.789	S	S	*	*				14.1	126	121.8	-68.5	174.8	168.4	168.9	-4.3	118.1
687	R	24.3	Very low	22.1	Very low	253 Å²	253	147.7 Å²	147.7	96%	0.955	80%	0.795	S	S	*	*			trans	-121.6	134.2	140.4	-71.4	-171.8	176.8	-168.6	-1.1	109.4
688	V	22.9	Very low	22.4	Very low	133 Å²	133	147.2 Å²	147.2	81%	0.806	80%	0.798	S	S	*	*			trans	-93.1	139.7	-178.1	177.3	0	0	0	0	109.7
689	G	24.6	Very low	22.4	Very low	74 Å²	74	148.6 Å²	148.6	76%	0.763	80%	0.802	S	S	*	*			trans	179.5	45	-177.5	0	0	0	0	0	112.7
690	D	23.9	Very low	22.6	Very low	157 Å²	157	151.6 Å²	151.6	84%	0.84	81%	0.812	S	S	*	*			trans	-61.5	141.2	-179.6	-83.2	-56.6	0	0	0	112.7
691	K	25.8	Very low	22.8	Very low	172 Å²	172	147.5 Å²	147.5	75%	0.748	81%	0.808	S	S	*	*			trans	-141.9	120.3	166.7	-95.4	-176.5	152.2	-78.1	0	111.7
692	D	26.4	Very low	23	Very low	123 Å²	123	147 Å²	147	66%	0.658	81%	0.806	S	S	*	*			trans	69.3	68.5	133.9	-45.3	-26.7	0	0	0	118.4
693	L	19.9	Very low	23.2	Very low	168 Å²	168	152.4 Å²	152.4	88%	0.88	81%	0.813	S	S	*	*				-87.6	155.7	121.9	-96.2	80.2	0	0	0	107.7
694	P	26.4	Very low	23.4	Very low	118 Å²	118	152.6 Å²	152.6	77%	0.766	82%	0.819	S	S	*	*			cis	-140.9	-178.2	30	43.3	-26.2	0	0	0	116.2
695	V	23	Very low	23.8	Very low	145 Å²	145	151.1 Å²	151.1	88%	0.879	82%	0.817	S	S	*	*			trans	-171.1	134.3	135.3	142.5	0	0	0	0	107.9
696	L	21	Very low	23.8	Very low	162 Å²	162	154.2 Å²	154.2	85%	0.848	82%	0.821	S	S	*	*			trans	-160.4	126.2	174.9	-168.8	132.4	0	0	0	112.9
697	A	22.5	Very low	24.2	Very low	85 Å²	85	150.2 Å²	150.2	70%	0.702	82%	0.822	S	S	*	*			trans	64.4	158.7	169.4	0	0	0	0	0	116.7
698	P	26.5	Very low	24.4	Very low	113 Å²	113	145 Å²	145	73%	0.734	81%	0.813	S	S	*	*			cis	-129	156.9	14.5	36.1	-17.3	0	0	0	118.6
699	F	19.7	Very low	24.7	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.873	81%	0.811	S	S	*	*			trans	32.3	111.6	145.8	-71	-98.9	0	0	0	121.2
700	T	24.1	Very low	24.9	Very low	151 Å²	151	151 Å²	151	93%	0.926	82%	0.816	S	S	*	*				-139	157	120.2	33.4	0	0	0	0	108.4
701	A	24.3	Very low	25	Very low	87 Å²	87	149 Å²	149	72%	0.719	80%	0.802	S	S	*	*			trans	-122	179	-175.3	0	0	0	0	0	111.7
702	E	23.3	Very low	25.1	Very low	178 Å²	178	146.6 Å²	146.6	83%	0.832	80%	0.801	S	S	*	*			trans	70.4	60.4	164.5	-59.1	-177.6	-171.3	0	0	118.1
703	M	25.7	Very low	25.4	Very low	189 Å²	189	146.8 Å²	146.8	93%	0.931	81%	0.809	S	S	*	*				-159.2	91.2	129.4	-124.3	169.4	-76.2	0	0	110.7
704	S	22.8	Very low	26	Very low	123 Å²	123	146.4 Å²	146.4	86%	0.86	80%	0.801	S	S	*	*			trans	-144.8	70.8	-177.1	-60	0	0	0	0	111.1
705	D	28.5	Very low	26.8	Very low	144 Å²	144	145.5 Å²	145.5	77%	0.77	80%	0.803	S	S	*	*	S	Bend	trans	-152.4	150.7	160.8	-135.6	-23.5	0	0	0	109.2
706	W	23.7	Very low	28.2	Very low	236 Å²	236	149.6 Å²	149.6	89%	0.894	80%	0.803	S	S	*	*	S	Bend	trans	69.8	38.6	172.3	-62.3	40.6	0	0	0	118.5
707	V	27.9	Very low	30.1	Very low	144 Å²	144	148.9 Å²	148.9	87%	0.873	79%	0.793	S	S	*	*			trans	-125.9	74.7	149.9	-171.3	0	0	0	0	108.9
708	D	28.4	Very low	32.5	Very low	143 Å²	143	146.1 Å²	146.1	77%	0.765	77%	0.765	S	S	*	*			trans	-72.3	143.7	173.4	-163.4	6	0	0	0	110
709	E	30.1	Very low	35.4	Very low	164 Å²	164	146.8 Å²	146.8	77%	0.766	76%	0.759	S	S	*	*			trans	-66.6	137.1	-167.4	-69.8	-171.5	124.6	0	0	112.2	Q711	E709-Q711 PolarHBondContact O-N 3.04Å
710	I	29.8	Very low	38.9	Very low	169 Å²	169	139.3 Å²	139.3	87%	0.867	73%	0.726	S	S	*	*			trans	-68.9	84.3	170.7	-56.1	177	0	0	0	108.5	T712	I710-T712 PolarHBondContact O-N 3.33Å
711	Q	25.5	Very low	42.1	Very low	117 Å²	117	136 Å²	136	55%	0.547	70%	0.699	S	S	.	*			trans	-64	106.5	178.1	-67.9	-172.3	41.1	0	0	109.6	E709	E709-Q711 PolarHBondContact O-N 3.04Å
712	T	27	Very low	45.2	Very low	121 Å²	121	134.1 Å²	134.1	74%	0.742	68%	0.677	S	S	*	*			trans	-51	132.8	162.9	44	0	0	0	0	108.6	I710 K714	I710-T712 PolarHBondContact O-N 3.33Å; T712-K714 PolarHBondContact O-N 3Å
713	P	32.9	Very low	48.3	Very low	127 Å²	127	130.9 Å²	130.9	83%	0.825	67%	0.671	S	S	*	*			trans	-66	103.1	-164.9	23.3	-33.5	0	0	0	110.9	A715	P713-A715 PolarHBondContact O-N 2.77Å; P713-A715 VanDerWaalsContact O-N 3.07Å
714	K	32.4	Very low	51.4	Low	160 Å²	160	127.3 Å²	127.3	70%	0.696	66%	0.66	S	S	*	*			trans	-47.4	116.2	175.6	-72.9	163.5	178.9	154.1	0	109	T712 R716	T712-K714 PolarHBondContact O-N 3Å; K714-R716 PolarHBondContact O-N 3.2Å
715	A	43.2	Very low	54.7	Low	98 Å²	98	121.8 Å²	121.8	81%	0.81	62%	0.621	S	S	*	*			trans	-53.4	111.1	-172.1	0	0	0	0	0	110.8	P713 K717	P713-A715 PolarHBondContact O-N 2.77Å; P713-A715 VanDerWaalsContact O-N 3.07Å; A715-K717 PolarHBondContact O-N 2.74Å
716	R	51.8	Low	57.9	Low	232 Å²	232	115.6 Å²	115.6	88%	0.875	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-62.2	120.8	176.6	-71.8	-177	175.2	-177.8	-1.7	108	K714 M718	K714-R716 PolarHBondContact O-N 3.2Å; R716-M718 PolarHBondContact O-N 2.94Å
717	K	61.5	Low	61.2	Low	147 Å²	147	109.1 Å²	109.1	64%	0.639	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-55.9	131	173.9	-71	179.4	164.4	-160.4	0	108.8	A715	A715-K717 PolarHBondContact O-N 2.74Å
718	M	74.2	Confident	64.4	Low	26 Å²	26	104.7 Å²	104.7	13%	0.128	54%	0.539	C	S	.	.	B	Isolated β-bridge	trans	-87.9	124	-174	-55.4	-159.6	79	0	0	110.2	V650 W654 R716 L737 A770	V650-M718 HydrophobicContact CG1-CE 4.28Å; V650-M718 HydrophobicContact CG1-SD 3.69Å; W654-M718 HydrophobicContact CD2-CB 4.17Å; W654-M718 HydrophobicContact CE3-CB 3.99Å; W654-M718 HydrophobicContact CH2-CB 4.3Å; W654-M718 HydrophobicContact CZ2-CB 4.46Å; W654-M718 HydrophobicContact CZ3-CB 4.06Å; R716-M718 PolarHBondContact O-N 2.94Å; M718-L737 HydrophobicContact CE-CD2 3.62Å; M718-L737 HydrophobicContact SD-CD2 3.84Å; M718-A770 HydrophobicContact CE-CB 3.64Å
719	E	87.2	Confident	67.6	Low	127 Å²	127	98.2 Å²	98.2	59%	0.593	50%	0.504	S	S	*	.			trans	-127.6	149.9	178.1	-57.6	-166.2	148.8	0	0	108.6	N655 Q766	N655-E719 PolarHBondContact ND2-OE1 3.33Å; E719-Q766 PolarHBondContact O-NE2 3.48Å
720	F	92.4	Very high	70.7	Confident	43 Å²	43	91.9 Å²	91.9	19%	0.189	47%	0.474	C	S	.	.			trans	-78.6	135.9	-179.8	-66.1	-79.7	0	0	0	110.5	W654 N722 L725 K730 V733 K734 E762	W654-F720 HydrophobicContact CE3-CD2 4.34Å; W654-F720 HydrophobicContact CE3-CE1 4.5Å; W654-F720 AromaticContact CE3-CE2 3.71Å; W654-F720 HydrophobicContact CE3-CE2 3.71Å; W654-F720 AromaticContact CE3-CZ 3.8Å; W654-F720 HydrophobicContact CE3-CZ 3.8Å; W654-F720 HydrophobicContact CH2-CD1 4.28Å; W654-F720 AromaticContact CH2-CE1 3.65Å; W654-F720 HydrophobicContact CH2-CE1 3.65Å; W654-F720 HydrophobicContact CH2-CE2 4.32Å; W654-F720 AromaticContact CH2-CZ 3.67Å; W654-F720 HydrophobicContact CH2-CZ 3.67Å; W654-F720 HydrophobicContact CZ2-CZ 4.47Å; W654-F720 AromaticContact CZ3-CD1 3.98Å; W654-F720 HydrophobicContact CZ3-CD1 3.98Å; W654-F720 AromaticContact CZ3-CD2 3.92Å; W654-F720 HydrophobicContact CZ3-CD2 3.92Å; W654-F720 AromaticContact CZ3-CE1 3.56Å; W654-F720 HydrophobicContact CZ3-CE1 3.56Å; W654-F720 AromaticContact CZ3-CE2 3.48Å; W654-F720 HydrophobicContact CZ3-CE2 3.48Å; W654-F720 VanDerWaalsContact CZ3-CE2 3.48Å; W654-F720 HydrophobicContact CZ3-CG 4.15Å; W654-F720 AromaticContact CZ3-CZ 3.29Å; W654-F720 HydrophobicContact CZ3-CZ 3.29Å; F720-N722 VanDerWaalsContact C-N 3.3Å; F720-N722 PolarHBondContact O-N 2.98Å; F720-L725 HydrophobicContact CB-CD1 4.28Å; F720-L725 HydrophobicContact CD1-CD1 3.98Å; F720-L725 HydrophobicContact CG-CD1 4.34Å; F720-K730 HydrophobicContact CD2-CG 4.16Å; F720-K730 HydrophobicContact CE1-CB 4.18Å; F720-K730 HydrophobicContact CE1-CG 4.17Å; F720-K730 HydrophobicContact CE2-CB 4.03Å; F720-K730 HydrophobicContact CE2-CD 3.95Å; F720-K730 HydrophobicContact CE2-CG 3.63Å; F720-K730 HydrophobicContact CZ-CB 3.58Å; F720-K730 HydrophobicContact CZ-CD 4.37Å; F720-K730 HydrophobicContact CZ-CG 3.64Å; F720-V733 HydrophobicContact CD1-CG1 4.29Å; F720-V733 HydrophobicContact CE1-CB 4.06Å; F720-V733 HydrophobicContact CE1-CG1 3.79Å; F720-K734 HydrophobicContact CZ-CG 4.49Å; F720-E762 VanDerWaalsContact CA-OE1 3.3Å; F720-E762 WeakPolarHBondContact CA-OE1 3.45Å; F720-E762 HydrophobicContact CD1-CG 4.01Å
721	F	91.3	Very high	73.8	Confident	80 Å²	80	86.8 Å²	86.8	35%	0.351	45%	0.448	S	S	.	.	S	Bend	trans	-67.3	-35.2	177.2	-63.4	-77.5	0	0	0	111.1	E762 L765 Q766 F769 V798	F721-E762 WeakPolarHBondContact CD2-OE1 3.31Å; F721-E762 PolarHBondContact N-OE1 2.89Å; F721-E762 PolarHBondContact N-OE2 3.42Å; F721-L765 HydrophobicContact CB-CD1 4.06Å; F721-L765 HydrophobicContact CD2-CB 3.57Å; F721-L765 HydrophobicContact CD2-CD1 4.18Å; F721-L765 HydrophobicContact CE2-CB 3.76Å; F721-L765 HydrophobicContact CG-CB 4.33Å; F721-L765 HydrophobicContact CG-CD1 4.16Å; F721-Q766 HydrophobicContact CD2-CG 4.28Å; F721-Q766 HydrophobicContact CE2-CG 4.18Å; F721-F769 HydrophobicContact CE1-CD2 4.07Å; F721-F769 HydrophobicContact CE1-CE2 4.31Å; F721-F769 AromaticContact CE2-CD2 3.98Å; F721-F769 HydrophobicContact CE2-CD2 3.98Å; F721-F769 HydrophobicContact CZ-CB 4.17Å; F721-F769 AromaticContact CZ-CD2 3.39Å; F721-F769 HydrophobicContact CZ-CD2 3.39Å; F721-F769 HydrophobicContact CZ-CE2 4.06Å; F721-F769 AromaticContact CZ-CG 3.98Å; F721-F769 HydrophobicContact CZ-CG 3.98Å; F721-V798 HydrophobicContact CD1-CG1 3.78Å; F721-V798 HydrophobicContact CD1-CG2 4.04Å; F721-V798 HydrophobicContact CE1-CG1 3.66Å
722	N	90.3	Very high	77.1	Confident	48 Å²	48	81.2 Å²	81.2	26%	0.257	42%	0.422	S	S	.	.	S	Bend	trans	-98.1	109.8	167.2	-178.7	-2.4	0	0	0	111.1	F720 V724 L725 V758 E762	F720-N722 VanDerWaalsContact C-N 3.3Å; F720-N722 PolarHBondContact O-N 2.98Å; N722-V724 PolarHBondContact O-N 3.18Å; N722-V724 WeakPolarHBondContact OD1-CB 3.39Å; N722-V724 PolarHBondContact OD1-N 3.37Å; N722-L725 HydrophobicContact CB-CD1 4.09Å; N722-L725 HydrophobicContact CB-CD2 4.37Å; N722-L725 HydrophobicContact CB-CG 3.92Å; N722-L725 WeakPolarHBondContact O-CD1 3.28Å; N722-L725 WeakPolarHBondContact O-CG 3.36Å; N722-V758 WeakPolarHBondContact ND2-CG1 3.16Å; N722-E762 PolarHBondContact N-OE2 3.41Å
723	P	88.1	Confident	80.4	Confident	110 Å²	110	75.5 Å²	75.5	71%	0.714	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.6	179.8	31.2	-36.2	0	0	0	114.2
724	V	90.1	Very high	83.4	Confident	115 Å²	115	72 Å²	72	70%	0.697	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	0.7	-175.1	-162.8	0	0	0	0	112.3	N722	N722-V724 PolarHBondContact O-N 3.18Å; N722-V724 WeakPolarHBondContact OD1-CB 3.39Å; N722-V724 PolarHBondContact OD1-N 3.37Å
725	L	93	Very high	86.3	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.037	34%	0.339	C	S	.	.			trans	-65.7	133.8	-178.7	-65.2	172.7	0	0	0	112.4	F720 N722 Q729 K730 V758 E762	F720-L725 HydrophobicContact CB-CD1 4.28Å; F720-L725 HydrophobicContact CD1-CD1 3.98Å; F720-L725 HydrophobicContact CG-CD1 4.34Å; N722-L725 HydrophobicContact CB-CD1 4.09Å; N722-L725 HydrophobicContact CB-CD2 4.37Å; N722-L725 HydrophobicContact CB-CG 3.92Å; N722-L725 WeakPolarHBondContact O-CD1 3.28Å; N722-L725 WeakPolarHBondContact O-CG 3.36Å; L725-Q729 HydrophobicContact CB-CB 4.18Å; L725-Q729 HydrophobicContact CD2-CB 4.02Å; L725-Q729 HydrophobicContact CD2-CG 4.49Å; L725-K730 HydrophobicContact CB-CG 4.19Å; L725-K730 VanDerWaalsContact O-CE 3.32Å; L725-K730 WeakPolarHBondContact O-CE 3.11Å; L725-V758 HydrophobicContact CD2-CG1 4.03Å; L725-E762 HydrophobicContact CD1-CB 3.85Å; L725-E762 HydrophobicContact CD1-CG 3.45Å; L725-E762 VanDerWaalsContact CD1-CG 3.45Å
726	N	94.5	Very high	88.8	Confident	13 Å²	13	63.2 Å²	63.2	7%	0.07	30%	0.3	C	S	.	.			trans	-80	166.2	174.7	72.3	62.7	0	0	0	112.8	N728 Q729 K730 K950 Y952	N726-N728 VanDerWaalsContact C-N 3.28Å; N726-N728 PolarHBondContact O-N 3.15Å; N726-N728 VanDerWaalsContact O-N 3.17Å; N726-N728 WeakPolarHBondContact OD1-CB 3.22Å; N726-N728 PolarHBondContact OD1-N 3.41Å; N726-Q729 PolarHBondContact ND2-OE1 2.89Å; N726-Q729 WeakPolarHBondContact O-CA 3.39Å; N726-Q729 WeakPolarHBondContact O-CB 3.44Å; N726-Q729 PolarHBondContact O-N 3.41Å; N726-Q729 PolarHBondContact OD1-N 3.48Å; N726-K730 PolarHBondContact O-N 2.82Å; N726-K950 HydrophobicContact CB-CD 3.72Å; N726-Y952 PolarHBondContact ND2-OH 3.19Å
727	E	93.6	Very high	90.9	Very high	100 Å²	100	52.4 Å²	52.4	47%	0.467	26%	0.26	S	S	.	.	H	α-helix	trans	-56.2	-34.5	-175.5	-56.2	-40.2	114	0	0	114.8	K730 L731	E727-K730 PolarHBondContact O-N 2.86Å; E727-K730 WeakPolarHBondContact OE1-CE 3.18Å; E727-K730 IonicContact OE1-NZ 2.68Å; E727-K730 PolarHBondContact OE1-NZ 3.11Å; E727-K730 VanDerWaalsContact OE2-CD 3.3Å; E727-K730 WeakPolarHBondContact OE2-CD 3.5Å; E727-K730 IonicContact OE2-NZ 3.89Å; E727-K730 PolarHBondContact OE2-NZ 2.79Å; E727-L731 WeakPolarHBondContact O-CB 3.2Å; E727-L731 PolarHBondContact O-N 3.33Å
728	N	94.4	Very high	92.4	Very high	52 Å²	52	46.1 Å²	46.1	28%	0.278	23%	0.234	S	C	.	.	H	α-helix	trans	-72.5	-33.3	177.1	-63.8	22	0	0	0	111.1	N726 A732 T946 K947 L948 V949	N726-N728 VanDerWaalsContact C-N 3.28Å; N726-N728 PolarHBondContact O-N 3.15Å; N726-N728 VanDerWaalsContact O-N 3.17Å; N726-N728 WeakPolarHBondContact OD1-CB 3.22Å; N726-N728 PolarHBondContact OD1-N 3.41Å; N728-A732 WeakPolarHBondContact O-CB 3.34Å; N728-A732 PolarHBondContact O-N 3.34Å; N728-T946 HydrophobicContact CB-CG2 4.34Å; N728-T946 WeakPolarHBondContact O-CG2 3.35Å; N728-K947 PolarHBondContact ND2-O 3.09Å; N728-L948 HydrophobicContact CB-CD2 4.12Å; N728-V949 WeakPolarHBondContact ND2-CG2 3.42Å
729	Q	96.3	Very high	93.3	Very high	7 Å²	7	45 Å²	45	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-70.6	-46	172.9	-59	178.4	-74.9	0	0	111	L725 N726 L731 A732 V733 T759 L948	L725-Q729 HydrophobicContact CB-CB 4.18Å; L725-Q729 HydrophobicContact CD2-CB 4.02Å; L725-Q729 HydrophobicContact CD2-CG 4.49Å; N726-Q729 PolarHBondContact ND2-OE1 2.89Å; N726-Q729 WeakPolarHBondContact O-CA 3.39Å; N726-Q729 WeakPolarHBondContact O-CB 3.44Å; N726-Q729 PolarHBondContact O-N 3.41Å; N726-Q729 PolarHBondContact OD1-N 3.48Å; Q729-L731 VanDerWaalsContact C-N 3.3Å; Q729-L731 PolarHBondContact O-N 2.78Å; Q729-A732 PolarHBondContact O-N 2.94Å; Q729-V733 VanDerWaalsContact O-CG2 3.31Å; Q729-V733 WeakPolarHBondContact O-CG2 3.43Å; Q729-V733 PolarHBondContact O-N 3.18Å; Q729-T759 HydrophobicContact CB-CG2 4Å; Q729-T759 HydrophobicContact CG-CG2 4.35Å; Q729-T759 WeakPolarHBondContact CG-OG1 3.41Å; Q729-T759 PolarHBondContact NE2-OG1 3.27Å; Q729-L948 HydrophobicContact CG-CD2 3.79Å
730	K	95.6	Very high	93.5	Very high	31 Å²	31	39.8 Å²	39.8	14%	0.135	21%	0.205	C	C	.	.	H	α-helix	trans	-57.2	-42.4	173.3	-67.8	175.4	178.4	169.8	0	111.3	D659 F720 L725 N726 E727 K734	D659-K730 IonicContact OD1-NZ 2.67Å; F720-K730 HydrophobicContact CD2-CG 4.16Å; F720-K730 HydrophobicContact CE1-CB 4.18Å; F720-K730 HydrophobicContact CE1-CG 4.17Å; F720-K730 HydrophobicContact CE2-CB 4.03Å; F720-K730 HydrophobicContact CE2-CD 3.95Å; F720-K730 HydrophobicContact CE2-CG 3.63Å; F720-K730 HydrophobicContact CZ-CB 3.58Å; F720-K730 HydrophobicContact CZ-CD 4.37Å; F720-K730 HydrophobicContact CZ-CG 3.64Å; L725-K730 HydrophobicContact CB-CG 4.19Å; L725-K730 VanDerWaalsContact O-CE 3.32Å; L725-K730 WeakPolarHBondContact O-CE 3.11Å; N726-K730 PolarHBondContact O-N 2.82Å; E727-K730 PolarHBondContact O-N 2.86Å; E727-K730 WeakPolarHBondContact OE1-CE 3.18Å; E727-K730 IonicContact OE1-NZ 2.68Å; E727-K730 PolarHBondContact OE1-NZ 3.11Å; E727-K730 VanDerWaalsContact OE2-CD 3.3Å; E727-K730 WeakPolarHBondContact OE2-CD 3.5Å; E727-K730 IonicContact OE2-NZ 3.89Å; E727-K730 PolarHBondContact OE2-NZ 2.79Å; K730-K734 WeakPolarHBondContact O-CB 3.29Å; K730-K734 VanDerWaalsContact O-CG 3.22Å; K730-K734 WeakPolarHBondContact O-CG 3.21Å; K730-K734 PolarHBondContact O-N 2.87Å
731	L	94	Very high	93.5	Very high	62 Å²	62	38 Å²	38	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-46.5	176.7	177.3	61.9	0	0	0	111.7	E727 Q729 V733 K734 R735 T946	E727-L731 WeakPolarHBondContact O-CB 3.2Å; E727-L731 PolarHBondContact O-N 3.33Å; Q729-L731 VanDerWaalsContact C-N 3.3Å; Q729-L731 PolarHBondContact O-N 2.78Å; L731-V733 PolarHBondContact O-N 3.45Å; L731-K734 PolarHBondContact O-N 3.37Å; L731-R735 HydrophobicContact CD1-CG 4.27Å; L731-R735 WeakPolarHBondContact O-CB 3.34Å; L731-R735 WeakPolarHBondContact O-CG 3.26Å; L731-R735 PolarHBondContact O-N 2.87Å; L731-T946 HydrophobicContact CD2-CG2 4.49Å
732	A	95.8	Very high	93.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-46.1	176.4	0	0	0	0	0	111.7	N728 Q729 R735 I736 L748 T759 T946	N728-A732 WeakPolarHBondContact O-CB 3.34Å; N728-A732 PolarHBondContact O-N 3.34Å; Q729-A732 PolarHBondContact O-N 2.94Å; A732-R735 PolarHBondContact O-N 2.99Å; A732-I736 WeakPolarHBondContact O-CB 3.36Å; A732-I736 WeakPolarHBondContact O-CD1 3.17Å; A732-I736 VanDerWaalsContact O-CG1 3.26Å; A732-I736 WeakPolarHBondContact O-CG1 3.35Å; A732-I736 PolarHBondContact O-N 2.84Å; A732-L748 HydrophobicContact CB-CD1 3.77Å; A732-T759 HydrophobicContact CB-CG2 4Å; A732-T946 HydrophobicContact CB-CG2 3.96Å
733	V	96.4	Very high	93.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-44	176	171.7	0	0	0	0	111.1	F720 Q729 L731 R735 I736 L737 T759 E762 A763 Q766	F720-V733 HydrophobicContact CD1-CG1 4.29Å; F720-V733 HydrophobicContact CE1-CB 4.06Å; F720-V733 HydrophobicContact CE1-CG1 3.79Å; Q729-V733 VanDerWaalsContact O-CG2 3.31Å; Q729-V733 WeakPolarHBondContact O-CG2 3.43Å; Q729-V733 PolarHBondContact O-N 3.18Å; L731-V733 PolarHBondContact O-N 3.45Å; V733-R735 VanDerWaalsContact C-N 3.33Å; V733-R735 PolarHBondContact O-N 2.95Å; V733-I736 PolarHBondContact O-N 3.2Å; V733-L737 WeakPolarHBondContact O-CB 3.48Å; V733-L737 PolarHBondContact O-N 2.73Å; V733-T759 HydrophobicContact CG2-CG2 4.08Å; V733-E762 HydrophobicContact CB-CG 4.44Å; V733-E762 HydrophobicContact CG1-CG 3.96Å; V733-E762 HydrophobicContact CG2-CB 3.92Å; V733-E762 HydrophobicContact CG2-CG 3.71Å; V733-A763 HydrophobicContact CG2-CB 4.24Å; V733-Q766 HydrophobicContact CG1-CB 4.26Å; V733-Q766 HydrophobicContact CG1-CG 3.8Å
734	K	94.7	Very high	93.9	Very high	54 Å²	54	28.7 Å²	28.7	24%	0.235	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-41	174.9	-79	170.2	175.7	179.5	0	112.5	W654 F720 K730 L731 S738	W654-K734 HydrophobicContact CD2-CG 4.35Å; W654-K734 HydrophobicContact CH2-CG 4.34Å; W654-K734 HydrophobicContact CZ2-CG 3.6Å; F720-K734 HydrophobicContact CZ-CG 4.49Å; K730-K734 WeakPolarHBondContact O-CB 3.29Å; K730-K734 VanDerWaalsContact O-CG 3.22Å; K730-K734 WeakPolarHBondContact O-CG 3.21Å; K730-K734 PolarHBondContact O-N 2.87Å; L731-K734 PolarHBondContact O-N 3.37Å; K734-S738 WeakPolarHBondContact O-CB 3.3Å; K734-S738 PolarHBondContact O-N 2.92Å; K734-S738 PolarHBondContact O-OG 2.85Å
735	R	94.5	Very high	94.2	Very high	72 Å²	72	23.2 Å²	23.2	27%	0.272	11%	0.111	S	C	.	.	H	α-helix	trans	-74.5	-36.1	178.8	-75.5	-70.3	-176.3	-146.4	-5.4	113.8	L731 A732 V733 S738 G739 D740 Y746 P942	L731-R735 HydrophobicContact CD1-CG 4.27Å; L731-R735 WeakPolarHBondContact O-CB 3.34Å; L731-R735 WeakPolarHBondContact O-CG 3.26Å; L731-R735 PolarHBondContact O-N 2.87Å; A732-R735 PolarHBondContact O-N 2.99Å; V733-R735 VanDerWaalsContact C-N 3.33Å; V733-R735 PolarHBondContact O-N 2.95Å; R735-S738 PolarHBondContact O-OG 2.84Å; R735-G739 PolarHBondContact O-N 2.82Å; R735-D740 IonicContact NH1-OD2 3.82Å; R735-D740 PolarHBondContact NH1-OD2 3.02Å; R735-Y746 HydrophobicContact CB-CE2 3.64Å; R735-Y746 WeakPolarHBondContact CB-OH 3.44Å; R735-Y746 HydrophobicContact CG-CE2 4.31Å; R735-P942 WeakPolarHBondContact CD-O 3.33Å; R735-P942 WeakPolarHBondContact CG-O 3.3Å; R735-P942 PolarHBondContact NE-O 2.79Å; R735-P942 VanDerWaalsContact NE-O 3.15Å
736	I	95.9	Very high	94.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-45.8	171.4	-67.3	161.8	0	0	0	109	A732 V733 S738 G739 Y746 A763 V767 F864 Q889 V891	A732-I736 WeakPolarHBondContact O-CB 3.36Å; A732-I736 WeakPolarHBondContact O-CD1 3.17Å; A732-I736 VanDerWaalsContact O-CG1 3.26Å; A732-I736 WeakPolarHBondContact O-CG1 3.35Å; A732-I736 PolarHBondContact O-N 2.84Å; V733-I736 PolarHBondContact O-N 3.2Å; I736-S738 PolarHBondContact O-N 3.1Å; I736-G739 PolarHBondContact O-N 2.93Å; I736-Y746 HydrophobicContact CD1-CD1 4.13Å; I736-Y746 HydrophobicContact CD1-CE1 4.07Å; I736-Y746 HydrophobicContact CG1-CD1 3.56Å; I736-Y746 HydrophobicContact CG1-CE1 3.7Å; I736-Y746 HydrophobicContact CG1-CG 4.4Å; I736-A763 HydrophobicContact CB-CB 4.4Å; I736-A763 HydrophobicContact CD1-CB 3.78Å; I736-A763 HydrophobicContact CG2-CB 4.11Å; I736-V767 HydrophobicContact CG2-CG2 4.19Å; I736-F864 HydrophobicContact CD1-CE1 4.42Å; I736-F864 HydrophobicContact CG2-CE1 4.03Å; I736-F864 HydrophobicContact CG2-CZ 3.83Å; I736-Q889 PolarHBondContact O-NE2 2.83Å; I736-Q889 PolarHBondContact O-OE1 2.93Å; I736-Q889 VanDerWaalsContact O-OE1 3.11Å; I736-V891 HydrophobicContact CD1-CG1 3.89Å; I736-V891 HydrophobicContact CD1-CG2 4.41Å; I736-V891 HydrophobicContact CG1-CG1 4.29Å; I736-V891 HydrophobicContact CG1-CG2 4.03Å; I736-V891 HydrophobicContact CG2-CG2 3.96Å
737	L	94.6	Very high	94.6	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-33.3	-179.6	-170.6	72.4	0	0	0	113.8	V650 W654 M718 V733 Q766 V767 A770	V650-L737 HydrophobicContact CB-CD1 4.4Å; V650-L737 HydrophobicContact CB-CD2 4.25Å; V650-L737 HydrophobicContact CB-CG 3.97Å; V650-L737 HydrophobicContact CG1-CD2 4.33Å; V650-L737 HydrophobicContact CG2-CD1 3.9Å; V650-L737 HydrophobicContact CG2-CG 4Å; W654-L737 HydrophobicContact CH2-CD2 4.37Å; W654-L737 HydrophobicContact CZ2-CD2 3.79Å; M718-L737 HydrophobicContact CE-CD2 3.62Å; M718-L737 HydrophobicContact SD-CD2 3.84Å; V733-L737 WeakPolarHBondContact O-CB 3.48Å; V733-L737 PolarHBondContact O-N 2.73Å; L737-Q766 HydrophobicContact CD1-CB 4.14Å; L737-V767 HydrophobicContact CD1-CG2 4.36Å; L737-A770 HydrophobicContact CD1-CB 3.83Å
738	S	93.1	Very high	94.8	Very high	15 Å²	15	18 Å²	18	11%	0.105	9%	0.086	C	C	.	.	H	α-helix	trans	-73.4	-42.3	173.3	70.2	0	0	0	0	111.3	P648 Q649 K734 R735 I736 D740	P648-S738 CarbonylContact C-O 3.2Å; P648-S738 VanDerWaalsContact CA-O 3.26Å; P648-S738 WeakPolarHBondContact CA-O 3.36Å; Q649-S738 PolarHBondContact N-O 3.17Å; K734-S738 WeakPolarHBondContact O-CB 3.3Å; K734-S738 PolarHBondContact O-N 2.92Å; K734-S738 PolarHBondContact O-OG 2.85Å; R735-S738 PolarHBondContact O-OG 2.84Å; I736-S738 PolarHBondContact O-N 3.1Å; S738-D740 VanDerWaalsContact C-N 3.26Å; S738-D740 WeakPolarHBondContact CB-OD1 3.24Å; S738-D740 PolarHBondContact O-N 3.05Å; S738-D740 PolarHBondContact OG-OD1 3.25Å; S738-D740 VanDerWaalsContact OG-OD1 3.1Å; S738-D740 PolarHBondContact OG-OD2 3.46Å
739	G	92.5	Very high	94.9	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.021	7%	0.074	C	C	.	.			trans	64.2	32.4	176.3	0	0	0	0	0	113.2	R735 I736 C741 R742	R735-G739 PolarHBondContact O-N 2.82Å; I736-G739 PolarHBondContact O-N 2.93Å; G739-C741 PolarHBondContact O-N 2.91Å; G739-C741 VanDerWaalsContact O-N 3.17Å; G739-R742 VanDerWaalsContact O-CG 3.3Å; G739-R742 WeakPolarHBondContact O-CG 3.46Å; G739-R742 PolarHBondContact O-N 3.37Å; G739-R742 PolarHBondContact O-NE 2.98Å
740	D	92.3	Very high	94.9	Very high	18 Å²	18	15.5 Å²	15.5	10%	0.096	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.2	-169	-51.1	-44.3	0	0	0	112.9	L645 Q646 R735 S738	L645-D740 CarbonylContact C-O 3.54Å; L645-D740 WeakPolarHBondContact CA-O 3.47Å; L645-D740 HydrophobicContact CD2-CB 4.08Å; Q646-D740 PolarHBondContact N-O 3.06Å; R735-D740 IonicContact NH1-OD2 3.82Å; R735-D740 PolarHBondContact NH1-OD2 3.02Å; S738-D740 VanDerWaalsContact C-N 3.26Å; S738-D740 WeakPolarHBondContact CB-OD1 3.24Å; S738-D740 PolarHBondContact O-N 3.05Å; S738-D740 PolarHBondContact OG-OD1 3.25Å; S738-D740 VanDerWaalsContact OG-OD1 3.1Å; S738-D740 PolarHBondContact OG-OD2 3.46Å
741	C	92.2	Very high	94.9	Very high	7 Å²	7	14 Å²	14	5%	0.047	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	15.6	-172.3	-63.2	0	0	0	0	115.1	I643 G739 L744 L944	I643-C741 HydrophobicContact CG2-CB 4.48Å; I643-C741 VanDerWaalsContact CG2-SG 3.56Å; G739-C741 PolarHBondContact O-N 2.91Å; G739-C741 VanDerWaalsContact O-N 3.17Å; C741-L744 HydrophobicContact CB-CB 4.39Å; C741-L744 VanDerWaalsContact O-CB 3.26Å; C741-L744 WeakPolarHBondContact O-CB 3.4Å; C741-L744 WeakPolarHBondContact O-CD1 3.28Å; C741-L744 PolarHBondContact O-N 2.75Å; C741-L944 HydrophobicContact CB-CD2 3.77Å
742	R	92.6	Very high	94.8	Very high	27 Å²	27	11.4 Å²	11.4	10%	0.102	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.5	-176.6	-74.2	171	-63	125.7	6.3	112.4	Q646 S647 Q649 G739 S887 Q889	Q646-R742 PolarHBondContact NE2-O 3Å; Q646-R742 VanDerWaalsContact OE1-NH2 3.1Å; S647-R742 PolarHBondContact O-NH2 2.91Å; Q649-R742 VanDerWaalsContact CG-CZ 3.43Å; Q649-R742 VanDerWaalsContact OE1-NE 3.11Å; G739-R742 VanDerWaalsContact O-CG 3.3Å; G739-R742 WeakPolarHBondContact O-CG 3.46Å; G739-R742 PolarHBondContact O-N 3.37Å; G739-R742 PolarHBondContact O-NE 2.98Å; R742-S887 PolarHBondContact NH1-O 3.17Å; R742-Q889 HydrophobicContact CG-CB 3.87Å; R742-Q889 HydrophobicContact CG-CG 3.89Å
743	P	92	Very high	94.7	Very high	4 Å²	4	12.2 Å²	12.2	3%	0.026	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.6	8.3	3.1	40.8	-43.2	0	0	0	114.6	K636 V637 D885 G888	K636-P743 HydrophobicContact CB-CG 4.08Å; K636-P743 HydrophobicContact CD-CG 4.21Å; V637-P743 HydrophobicContact CG2-CB 3.8Å; V637-P743 HydrophobicContact CG2-CG 3.64Å; P743-D885 WeakPolarHBondContact CD-O 3.41Å; P743-D885 WeakPolarHBondContact CG-O 3.26Å; P743-G888 WeakPolarHBondContact CA-O 3.49Å
744	L	93.7	Very high	94.6	Very high	11 Å²	11	12.2 Å²	12.2	6%	0.058	6%	0.061	C	C	.	.	S	Bend	trans	-55.3	132.7	-173	-80.3	60.3	0	0	0	110.3	K636 P640 I643 C741 Y746 L944	K636-L744 HydrophobicContact CB-CD1 4.28Å; K636-L744 WeakPolarHBondContact O-CD1 3.43Å; K636-L744 WeakPolarHBondContact O-CG 3.19Å; P640-L744 HydrophobicContact CB-CD2 4.29Å; P640-L744 HydrophobicContact CB-CG 4.17Å; I643-L744 HydrophobicContact CG1-CD2 4.37Å; C741-L744 HydrophobicContact CB-CB 4.39Å; C741-L744 VanDerWaalsContact O-CB 3.26Å; C741-L744 WeakPolarHBondContact O-CB 3.4Å; C741-L744 WeakPolarHBondContact O-CD1 3.28Å; C741-L744 PolarHBondContact O-N 2.75Å; L744-Y746 PolarHBondContact O-N 3.27Å; L744-Y746 VanDerWaalsContact O-N 3.11Å; L744-L944 HydrophobicContact CB-CD2 4.02Å; L744-L944 HydrophobicContact CD2-CD1 4.45Å; L744-L944 HydrophobicContact CD2-CD2 3.83Å
745	P	96.5	Very high	94.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.061	C	C	.	.	P	Polyproline II helix	trans	-58.1	116.6	178.5	-27.6	36.2	0	0	0	112	V637 I890 L892 F917 L921 Y927	V637-P745 HydrophobicContact CG1-CG 3.93Å; P745-I890 WeakPolarHBondContact CA-O 3.44Å; P745-I890 HydrophobicContact CB-CB 4.36Å; P745-I890 HydrophobicContact CB-CG2 3.86Å; P745-I890 HydrophobicContact CG-CB 4.38Å; P745-I890 HydrophobicContact CG-CG2 4.03Å; P745-L892 HydrophobicContact CB-CD1 3.78Å; P745-L892 HydrophobicContact CB-CG 4.09Å; P745-F917 HydrophobicContact CG-CE1 4.17Å; P745-F917 HydrophobicContact CG-CZ 4.31Å; P745-L921 HydrophobicContact CB-CD1 3.8Å; P745-L921 HydrophobicContact CG-CD1 3.87Å; P745-Y927 VanDerWaalsContact O-CE1 3.25Å; P745-Y927 WeakPolarHBondContact O-CE1 3.43Å; P745-Y927 PolarHBondContact O-OH 3.43Å
746	Y	97.7	Very high	94.6	Very high	8 Å²	8	8 Å²	8	3%	0.031	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.5	171.8	-176.6	-94.7	0	0	0	109.6	R735 I736 L744 I890 V891 L892 L943 T946	R735-Y746 HydrophobicContact CB-CE2 3.64Å; R735-Y746 WeakPolarHBondContact CB-OH 3.44Å; R735-Y746 HydrophobicContact CG-CE2 4.31Å; I736-Y746 HydrophobicContact CD1-CD1 4.13Å; I736-Y746 HydrophobicContact CD1-CE1 4.07Å; I736-Y746 HydrophobicContact CG1-CD1 3.56Å; I736-Y746 HydrophobicContact CG1-CE1 3.7Å; I736-Y746 HydrophobicContact CG1-CG 4.4Å; L744-Y746 PolarHBondContact O-N 3.27Å; L744-Y746 VanDerWaalsContact O-N 3.11Å; Y746-I890 PolarHBondContact N-O 2.75Å; Y746-V891 HydrophobicContact CD1-CG1 4.46Å; Y746-V891 CarbonylContact O-C 3.59Å; Y746-V891 WeakPolarHBondContact O-CA 3.36Å; Y746-L892 PolarHBondContact O-N 3.13Å; Y746-L943 WeakPolarHBondContact CD2-O 3.11Å; Y746-T946 WeakPolarHBondContact OH-CB 3.28Å; Y746-T946 PolarHBondContact OH-OG1 3.19Å
747	I	98.1	Very high	94.4	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.4	-174.7	-66.3	-179.2	0	0	0	111.2	F749 L892 L918 L921 M922 Y927 L944 V945 T946	I747-F749 HydrophobicContact CG2-CB 4.18Å; I747-F749 PolarHBondContact O-N 2.64Å; I747-L892 WeakPolarHBondContact CA-O 3.48Å; I747-L892 HydrophobicContact CG1-CB 4.44Å; I747-L918 HydrophobicContact CB-CD1 4.44Å; I747-L918 HydrophobicContact CD1-CD1 3.88Å; I747-L918 HydrophobicContact CG1-CD1 3.97Å; I747-L918 HydrophobicContact CG2-CD1 3.72Å; I747-L921 HydrophobicContact CD1-CB 4.02Å; I747-L921 HydrophobicContact CD1-CD1 4.5Å; I747-M922 HydrophobicContact CD1-CG 3.92Å; I747-M922 HydrophobicContact CD1-SD 3.69Å; I747-M922 HydrophobicContact CG2-SD 3.97Å; I747-Y927 HydrophobicContact CD1-CD1 3.52Å; I747-Y927 HydrophobicContact CD1-CE1 3.65Å; I747-Y927 HydrophobicContact CD1-CG 4.43Å; I747-Y927 HydrophobicContact CG1-CD1 4.15Å; I747-Y927 HydrophobicContact CG1-CE1 3.9Å; I747-L944 PolarHBondContact N-O 3.04Å; I747-V945 HydrophobicContact CB-CG2 4.33Å; I747-V945 HydrophobicContact CG2-CG1 4.43Å; I747-V945 WeakPolarHBondContact O-CA 3.43Å; I747-T946 PolarHBondContact O-N 3.32Å
748	L	97.9	Very high	94.4	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	87.5	163.7	-178.5	64	0	0	0	108.8	A732 G750 T759 I760 L892 A893 G894 L948	A732-L748 HydrophobicContact CB-CD1 3.77Å; L748-G750 PolarHBondContact O-N 3.47Å; L748-G750 VanDerWaalsContact O-N 3.08Å; L748-T759 HydrophobicContact CD1-CG2 4.17Å; L748-T759 HydrophobicContact CD2-CG2 4Å; L748-I760 HydrophobicContact CD2-CG1 3.93Å; L748-L892 PolarHBondContact N-O 2.97Å; L748-A893 HydrophobicContact CB-CB 3.95Å; L748-A893 HydrophobicContact CD2-CB 4.03Å; L748-A893 HydrophobicContact CG-CB 4.36Å; L748-A893 WeakPolarHBondContact O-CA 3.33Å; L748-G894 PolarHBondContact O-N 2.98Å; L748-G894 VanDerWaalsContact O-N 3.12Å; L748-L948 HydrophobicContact CD1-CD1 3.96Å; L748-L948 HydrophobicContact CD1-CD2 3.9Å; L748-L948 HydrophobicContact CD1-CG 3.81Å; L748-L948 HydrophobicContact CG-CD1 4.38Å
749	F	97	Very high	94.6	Very high	7 Å²	7	10.5 Å²	10.5	3%	0.031	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	100.4	175.3	-178.8	-176.3	0	0	0	108.4	I747 P751 D895 P896 M897 M922 V945 T946 K947 L948 Y967	I747-F749 HydrophobicContact CG2-CB 4.18Å; I747-F749 PolarHBondContact O-N 2.64Å; F749-P751 HydrophobicContact CD2-CG 4.26Å; F749-P751 HydrophobicContact CE2-CG 3.94Å; F749-P751 VanDerWaalsContact O-CD 3.31Å; F749-P751 WeakPolarHBondContact O-CD 3.49Å; F749-D895 WeakPolarHBondContact CE2-OD1 3.32Å; F749-P896 HydrophobicContact CE2-CG 4.32Å; F749-P896 HydrophobicContact CZ-CG 4.31Å; F749-M897 HydrophobicContact CZ-CG 4.45Å; F749-M922 HydrophobicContact CD1-CE 3.93Å; F749-M922 HydrophobicContact CE1-CE 4.28Å; F749-V945 HydrophobicContact CB-CG1 4.19Å; F749-T946 PolarHBondContact N-O 2.86Å; F749-K947 HydrophobicContact CB-CB 4.46Å; F749-K947 HydrophobicContact CD1-CB 4.34Å; F749-K947 HydrophobicContact CD1-CD 4.14Å; F749-K947 HydrophobicContact CD1-CG 4.05Å; F749-K947 HydrophobicContact CE1-CD 4.12Å; F749-K947 HydrophobicContact CE1-CG 4.45Å; F749-K947 HydrophobicContact CG-CG 4.23Å; F749-K947 CarbonylContact O-C 3.53Å; F749-K947 VanDerWaalsContact O-CA 3.28Å; F749-K947 WeakPolarHBondContact O-CA 3.43Å; F749-L948 PolarHBondContact O-N 3.44Å; F749-Y967 HydrophobicContact CE2-CD1 4.27Å; F749-Y967 HydrophobicContact CE2-CE1 4.16Å; F749-Y967 HydrophobicContact CZ-CD1 4.06Å; F749-Y967 HydrophobicContact CZ-CE1 4.29Å
750	G	95.3	Very high	94.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.066	C	C	.	.			trans	-116.8	95.2	179.2	0	0	0	0	0	112.9	L748 T754 K756 G894	L748-G750 PolarHBondContact O-N 3.47Å; L748-G750 VanDerWaalsContact O-N 3.08Å; G750-T754 WeakPolarHBondContact CA-OG1 3.25Å; G750-K756 WeakPolarHBondContact O-CD 3.09Å; G750-K756 PolarHBondContact O-NZ 2.93Å; G750-G894 PolarHBondContact N-O 3.45Å
751	P	95.5	Very high	95	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.006	6%	0.064	C	C	.	.			trans	-47.3	160.3	166.2	-27.4	35.5	0	0	0	112.9	F749 G753 T754 D895 L948 Y967 L971	F749-P751 HydrophobicContact CD2-CG 4.26Å; F749-P751 HydrophobicContact CE2-CG 3.94Å; F749-P751 VanDerWaalsContact O-CD 3.31Å; F749-P751 WeakPolarHBondContact O-CD 3.49Å; P751-G753 PolarHBondContact O-N 2.94Å; P751-T754 HydrophobicContact CB-CG2 3.82Å; P751-T754 HydrophobicContact CG-CG2 4.34Å; P751-T754 WeakPolarHBondContact O-CB 3.33Å; P751-T754 WeakPolarHBondContact O-CG2 3.49Å; P751-T754 PolarHBondContact O-N 2.83Å; P751-T754 PolarHBondContact O-OG1 3.43Å; P751-D895 WeakPolarHBondContact CA-OD2 3.29Å; P751-L948 VanDerWaalsContact CD-O 3.31Å; P751-L948 WeakPolarHBondContact CD-O 3.36Å; P751-Y967 HydrophobicContact CB-CD1 3.93Å; P751-Y967 HydrophobicContact CB-CE1 3.68Å; P751-Y967 HydrophobicContact CB-CE2 4.42Å; P751-Y967 HydrophobicContact CB-CG 4.4Å; P751-Y967 HydrophobicContact CG-CD1 3.68Å; P751-Y967 HydrophobicContact CG-CE1 3.8Å; P751-Y967 HydrophobicContact CG-CG 4.34Å; P751-L971 HydrophobicContact CB-CD1 4.14Å; P751-L971 HydrophobicContact CB-CD2 3.99Å; P751-L971 HydrophobicContact CG-CD2 3.89Å
752	P	93.1	Very high	95.3	Very high	6 Å²	6	10.1 Å²	10.1	4%	0.039	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	140.4	-175.2	23.6	-30.1	0	0	0	111.1	T754 D895 N951 Y967 T1117	P752-T754 VanDerWaalsContact C-N 3.27Å; P752-T754 PolarHBondContact O-N 3.09Å; P752-D895 WeakPolarHBondContact CD-OD2 3.12Å; P752-N951 PolarHBondContact O-ND2 3.21Å; P752-Y967 WeakPolarHBondContact CD-OH 3.22Å; P752-T1117 HydrophobicContact CB-CG2 4.49Å; P752-T1117 VanDerWaalsContact CG-CB 3.41Å; P752-T1117 HydrophobicContact CG-CG2 3.54Å; P752-T1117 WeakPolarHBondContact CG-OG1 3.36Å
753	G	93	Very high	95.5	Very high	17 Å²	17	8.9 Å²	8.9	18%	0.175	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	1.9	-177.8	0	0	0	0	0	116.2	P751 G755 Y952	P751-G753 PolarHBondContact O-N 2.94Å; G753-G755 PolarHBondContact O-N 3.08Å; G753-Y952 PolarHBondContact O-N 3.48Å
754	T	94.7	Very high	95.7	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	6%	0.057	C	C	.	.	S	Bend	trans	-87.4	7.3	-174.2	63.1	0	0	0	0	116.1	G750 P751 P752 L948 K950	G750-T754 WeakPolarHBondContact CA-OG1 3.25Å; P751-T754 HydrophobicContact CB-CG2 3.82Å; P751-T754 HydrophobicContact CG-CG2 4.34Å; P751-T754 WeakPolarHBondContact O-CB 3.33Å; P751-T754 WeakPolarHBondContact O-CG2 3.49Å; P751-T754 PolarHBondContact O-N 2.83Å; P751-T754 PolarHBondContact O-OG1 3.43Å; P752-T754 VanDerWaalsContact C-N 3.27Å; P752-T754 PolarHBondContact O-N 3.09Å; T754-L948 HydrophobicContact CG2-CB 4.41Å; T754-L948 WeakPolarHBondContact O-CD1 3.16Å; T754-L948 WeakPolarHBondContact OG1-CB 3.35Å; T754-K950 VanDerWaalsContact CA-O 3.32Å; T754-K950 WeakPolarHBondContact CA-O 3.48Å
755	G	93.4	Very high	95.9	Very high	23 Å²	23	8.3 Å²	8.3	24%	0.237	6%	0.055	C	C	.	.			trans	84.8	19.2	173.2	0	0	0	0	0	116.7	G753 T757 V758 T759	G753-G755 PolarHBondContact O-N 3.08Å; G755-T757 PolarHBondContact O-N 2.8Å; G755-V758 WeakPolarHBondContact O-CB 3.47Å; G755-V758 PolarHBondContact O-N 3.12Å; G755-T759 PolarHBondContact O-N 3.18Å; G755-T759 PolarHBondContact O-OG1 2.8Å
756	K	94.7	Very high	95.9	Very high	16 Å²	16	8.6 Å²	8.6	7%	0.07	6%	0.057	C	C	.	.	H	α-helix	trans	-33.1	-65.9	178.3	-80.2	-152.9	-54.4	-76	0	114.4	G750 V758 T759 I760 D866 E867 A893	G750-K756 WeakPolarHBondContact O-CD 3.09Å; G750-K756 PolarHBondContact O-NZ 2.93Å; K756-V758 PolarHBondContact O-N 3.38Å; K756-T759 WeakPolarHBondContact O-CA 3.46Å; K756-T759 VanDerWaalsContact O-CB 3.32Å; K756-T759 WeakPolarHBondContact O-CB 3.14Å; K756-T759 PolarHBondContact O-N 3.48Å; K756-I760 WeakPolarHBondContact O-CG1 3.41Å; K756-I760 PolarHBondContact O-N 2.91Å; K756-D866 WeakPolarHBondContact CE-OD1 3.28Å; K756-E867 WeakPolarHBondContact CE-OE1 3.45Å; K756-E867 IonicContact NZ-OE1 2.71Å; K756-E867 PolarHBondContact NZ-OE1 3.46Å; K756-E867 IonicContact NZ-OE2 2.73Å; K756-A893 HydrophobicContact CD-CB 4.4Å
757	T	92.9	Very high	95.8	Very high	22 Å²	22	8.2 Å²	8.2	14%	0.135	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-27.4	-171.7	-43.8	0	0	0	0	112.3	G755 I760 I761 L788 V789 D866	G755-T757 PolarHBondContact O-N 2.8Å; T757-I760 PolarHBondContact O-N 2.91Å; T757-I761 HydrophobicContact CG2-CD1 4.12Å; T757-I761 WeakPolarHBondContact O-CB 3.48Å; T757-I761 VanDerWaalsContact O-CD1 3.27Å; T757-I761 WeakPolarHBondContact O-CD1 3.28Å; T757-I761 WeakPolarHBondContact O-CG1 3.45Å; T757-I761 PolarHBondContact O-N 2.99Å; T757-L788 HydrophobicContact CG2-CD2 4.46Å; T757-L788 HydrophobicContact CG2-CG 4.34Å; T757-V789 HydrophobicContact CG2-CG2 3.94Å; T757-D866 PolarHBondContact OG1-OD2 2.7Å
758	V	94.7	Very high	95.7	Very high	50 Å²	50	8.9 Å²	8.9	30%	0.303	6%	0.058	S	C	.	.	H	α-helix	trans	-69.2	-41.4	172.8	-176.4	0	0	0	0	110.8	N722 L725 G755 K756 I761 E762	N722-V758 WeakPolarHBondContact ND2-CG1 3.16Å; L725-V758 HydrophobicContact CD2-CG1 4.03Å; G755-V758 WeakPolarHBondContact O-CB 3.47Å; G755-V758 PolarHBondContact O-N 3.12Å; K756-V758 PolarHBondContact O-N 3.38Å; V758-I761 PolarHBondContact O-N 2.98Å; V758-E762 PolarHBondContact O-N 3.41Å
759	T	96.6	Very high	95.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-37.1	174.2	-43.7	0	0	0	0	112	Q729 A732 V733 L748 G755 K756 A763	Q729-T759 HydrophobicContact CB-CG2 4Å; Q729-T759 HydrophobicContact CG-CG2 4.35Å; Q729-T759 WeakPolarHBondContact CG-OG1 3.41Å; Q729-T759 PolarHBondContact NE2-OG1 3.27Å; A732-T759 HydrophobicContact CB-CG2 4Å; V733-T759 HydrophobicContact CG2-CG2 4.08Å; L748-T759 HydrophobicContact CD1-CG2 4.17Å; L748-T759 HydrophobicContact CD2-CG2 4Å; G755-T759 PolarHBondContact O-N 3.18Å; G755-T759 PolarHBondContact O-OG1 2.8Å; K756-T759 WeakPolarHBondContact O-CA 3.46Å; K756-T759 VanDerWaalsContact O-CB 3.32Å; K756-T759 WeakPolarHBondContact O-CB 3.14Å; K756-T759 PolarHBondContact O-N 3.48Å; T759-A763 WeakPolarHBondContact O-CB 3.48Å; T759-A763 PolarHBondContact O-N 3.43Å
760	I	97.3	Very high	95.3	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-44.5	174.4	-61.8	167.9	0	0	0	110.5	L748 K756 T757 E762 A763 V764 F864 D866 A893	L748-I760 HydrophobicContact CD2-CG1 3.93Å; K756-I760 WeakPolarHBondContact O-CG1 3.41Å; K756-I760 PolarHBondContact O-N 2.91Å; T757-I760 PolarHBondContact O-N 2.91Å; I760-E762 PolarHBondContact O-N 2.88Å; I760-A763 PolarHBondContact O-N 3.47Å; I760-V764 HydrophobicContact CG2-CG2 4.17Å; I760-V764 WeakPolarHBondContact O-CB 3.29Å; I760-V764 VanDerWaalsContact O-CG2 3.29Å; I760-V764 WeakPolarHBondContact O-CG2 3.39Å; I760-V764 PolarHBondContact O-N 3.24Å; I760-F864 HydrophobicContact CG2-CD1 4.03Å; I760-D866 HydrophobicContact CD1-CB 3.58Å; I760-D866 WeakPolarHBondContact CD1-OD1 3.27Å; I760-D866 WeakPolarHBondContact CD1-OD2 3.37Å; I760-A893 HydrophobicContact CD1-CB 3.36Å; I760-A893 HydrophobicContact CG1-CB 3.91Å
761	I	96.9	Very high	95.1	Very high	14 Å²	14	16 Å²	16	7%	0.072	10%	0.096	C	C	.	.	H	α-helix	trans	-59.1	-48.1	177.6	-76.1	7.6	0	0	0	110.2	T757 V758 A763 V764 L765 V789 R792 L793	T757-I761 HydrophobicContact CG2-CD1 4.12Å; T757-I761 WeakPolarHBondContact O-CB 3.48Å; T757-I761 VanDerWaalsContact O-CD1 3.27Å; T757-I761 WeakPolarHBondContact O-CD1 3.28Å; T757-I761 WeakPolarHBondContact O-CG1 3.45Å; T757-I761 PolarHBondContact O-N 2.99Å; V758-I761 PolarHBondContact O-N 2.98Å; I761-A763 PolarHBondContact O-N 3.18Å; I761-V764 PolarHBondContact O-N 2.67Å; I761-L765 HydrophobicContact CG2-CD1 4.08Å; I761-L765 VanDerWaalsContact O-CG 3.29Å; I761-L765 WeakPolarHBondContact O-CG 3.4Å; I761-L765 PolarHBondContact O-N 2.96Å; I761-V789 HydrophobicContact CD1-CB 4.35Å; I761-V789 HydrophobicContact CD1-CG1 3.76Å; I761-R792 HydrophobicContact CD1-CB 4.24Å; I761-R792 HydrophobicContact CG1-CB 3.49Å; I761-R792 VanDerWaalsContact CG1-CB 3.49Å; I761-L793 HydrophobicContact CB-CD2 4.39Å; I761-L793 HydrophobicContact CD1-CD1 4.27Å; I761-L793 HydrophobicContact CD1-CD2 4.47Å; I761-L793 HydrophobicContact CD1-CG 3.92Å; I761-L793 HydrophobicContact CG1-CD2 4.37Å; I761-L793 HydrophobicContact CG1-CG 4.06Å; I761-L793 HydrophobicContact CG2-CD2 3.95Å; I761-L793 HydrophobicContact CG2-CG 4.42Å
762	E	96.9	Very high	94.9	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-48.2	174.6	-175.9	71.8	-148.9	0	0	111.5	F720 F721 N722 L725 V733 V758 I760 V764 L765 Q766	F720-E762 VanDerWaalsContact CA-OE1 3.3Å; F720-E762 WeakPolarHBondContact CA-OE1 3.45Å; F720-E762 HydrophobicContact CD1-CG 4.01Å; F721-E762 WeakPolarHBondContact CD2-OE1 3.31Å; F721-E762 PolarHBondContact N-OE1 2.89Å; F721-E762 PolarHBondContact N-OE2 3.42Å; N722-E762 PolarHBondContact N-OE2 3.41Å; L725-E762 HydrophobicContact CD1-CB 3.85Å; L725-E762 HydrophobicContact CD1-CG 3.45Å; L725-E762 VanDerWaalsContact CD1-CG 3.45Å; V733-E762 HydrophobicContact CB-CG 4.44Å; V733-E762 HydrophobicContact CG1-CG 3.96Å; V733-E762 HydrophobicContact CG2-CB 3.92Å; V733-E762 HydrophobicContact CG2-CG 3.71Å; V758-E762 PolarHBondContact O-N 3.41Å; I760-E762 PolarHBondContact O-N 2.88Å; E762-V764 VanDerWaalsContact C-N 3.34Å; E762-V764 PolarHBondContact O-N 2.88Å; E762-L765 PolarHBondContact O-N 2.81Å; E762-Q766 HydrophobicContact CG-CG 4.19Å; E762-Q766 WeakPolarHBondContact O-CB 3.39Å; E762-Q766 VanDerWaalsContact O-CG 3.28Å; E762-Q766 WeakPolarHBondContact O-CG 3.35Å; E762-Q766 PolarHBondContact O-N 3.19Å; E762-Q766 WeakPolarHBondContact OE1-CG 3.42Å; E762-Q766 PolarHBondContact OE1-NE2 3.42Å
763	A	97.2	Very high	94.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-40.8	-179.7	0	0	0	0	0	112.6	V733 I736 T759 I760 I761 V767 F864	V733-A763 HydrophobicContact CG2-CB 4.24Å; I736-A763 HydrophobicContact CB-CB 4.4Å; I736-A763 HydrophobicContact CD1-CB 3.78Å; I736-A763 HydrophobicContact CG2-CB 4.11Å; T759-A763 WeakPolarHBondContact O-CB 3.48Å; T759-A763 PolarHBondContact O-N 3.43Å; I760-A763 PolarHBondContact O-N 3.47Å; I761-A763 PolarHBondContact O-N 3.18Å; A763-V767 WeakPolarHBondContact O-CB 3.28Å; A763-V767 VanDerWaalsContact O-CG2 3.26Å; A763-V767 WeakPolarHBondContact O-CG2 3.45Å; A763-V767 PolarHBondContact O-N 3.1Å; A763-F864 HydrophobicContact CB-CE1 3.82Å; A763-F864 HydrophobicContact CB-CZ 4.19Å
764	V	97.7	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-42.2	175.6	168.3	0	0	0	0	111.3	I760 I761 E762 H768 I776 V778 L793 I839 F864	I760-V764 HydrophobicContact CG2-CG2 4.17Å; I760-V764 WeakPolarHBondContact O-CB 3.29Å; I760-V764 VanDerWaalsContact O-CG2 3.29Å; I760-V764 WeakPolarHBondContact O-CG2 3.39Å; I760-V764 PolarHBondContact O-N 3.24Å; I761-V764 PolarHBondContact O-N 2.67Å; E762-V764 VanDerWaalsContact C-N 3.34Å; E762-V764 PolarHBondContact O-N 2.88Å; V764-H768 WeakPolarHBondContact O-CB 3.44Å; V764-H768 PolarHBondContact O-N 3.23Å; V764-I776 HydrophobicContact CG1-CD1 4.14Å; V764-I776 HydrophobicContact CG1-CG2 4.38Å; V764-I776 HydrophobicContact CG2-CG2 4.27Å; V764-I776 WeakPolarHBondContact O-CD1 3.47Å; V764-V778 HydrophobicContact CG2-CG2 3.91Å; V764-L793 HydrophobicContact CG1-CD1 4.19Å; V764-L793 HydrophobicContact CG1-CD2 4.11Å; V764-I839 HydrophobicContact CG1-CD1 3.99Å; V764-I839 HydrophobicContact CG1-CG1 4.47Å; V764-I839 HydrophobicContact CG1-CG2 4.2Å; V764-F864 HydrophobicContact CG2-CD1 4.21Å; V764-F864 HydrophobicContact CG2-CD2 3.97Å; V764-F864 HydrophobicContact CG2-CE1 4.15Å; V764-F864 HydrophobicContact CG2-CE2 3.92Å; V764-F864 HydrophobicContact CG2-CG 4.12Å; V764-F864 HydrophobicContact CG2-CZ 4.01Å
765	L	96.7	Very high	94.8	Very high	3 Å²	3	30 Å²	30	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-47.6	175.7	-68.4	173.7	0	0	0	111.5	F721 I761 E762 H768 F769 L793 V798 L799	F721-L765 HydrophobicContact CB-CD1 4.06Å; F721-L765 HydrophobicContact CD2-CB 3.57Å; F721-L765 HydrophobicContact CD2-CD1 4.18Å; F721-L765 HydrophobicContact CE2-CB 3.76Å; F721-L765 HydrophobicContact CG-CB 4.33Å; F721-L765 HydrophobicContact CG-CD1 4.16Å; I761-L765 HydrophobicContact CG2-CD1 4.08Å; I761-L765 VanDerWaalsContact O-CG 3.29Å; I761-L765 WeakPolarHBondContact O-CG 3.4Å; I761-L765 PolarHBondContact O-N 2.96Å; E762-L765 PolarHBondContact O-N 2.81Å; L765-H768 WeakPolarHBondContact O-CB 3.43Å; L765-H768 PolarHBondContact O-N 3.44Å; L765-F769 HydrophobicContact CD2-CE2 4.34Å; L765-F769 VanDerWaalsContact O-CD2 3.28Å; L765-F769 WeakPolarHBondContact O-CD2 3.27Å; L765-F769 PolarHBondContact O-N 3.48Å; L765-L793 HydrophobicContact CD2-CD2 3.93Å; L765-L793 HydrophobicContact CG-CD2 3.98Å; L765-V798 HydrophobicContact CD1-CG2 4.39Å; L765-V798 HydrophobicContact CD2-CB 4.36Å; L765-L799 HydrophobicContact CD2-CD1 4.23Å; L765-L799 HydrophobicContact CD2-CD2 3.68Å; L765-L799 HydrophobicContact CD2-CG 3.73Å
766	Q	95.9	Very high	95	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.028	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-46.9	179	-68.4	-69.8	-14.1	0	0	111.6	E719 F721 V733 L737 E762 H768 F769 A770	E719-Q766 PolarHBondContact O-NE2 3.48Å; F721-Q766 HydrophobicContact CD2-CG 4.28Å; F721-Q766 HydrophobicContact CE2-CG 4.18Å; V733-Q766 HydrophobicContact CG1-CB 4.26Å; V733-Q766 HydrophobicContact CG1-CG 3.8Å; L737-Q766 HydrophobicContact CD1-CB 4.14Å; E762-Q766 HydrophobicContact CG-CG 4.19Å; E762-Q766 WeakPolarHBondContact O-CB 3.39Å; E762-Q766 VanDerWaalsContact O-CG 3.28Å; E762-Q766 WeakPolarHBondContact O-CG 3.35Å; E762-Q766 PolarHBondContact O-N 3.19Å; E762-Q766 WeakPolarHBondContact OE1-CG 3.42Å; E762-Q766 PolarHBondContact OE1-NE2 3.42Å; Q766-H768 VanDerWaalsContact C-N 3.31Å; Q766-H768 PolarHBondContact O-N 3.48Å; Q766-F769 PolarHBondContact O-N 3.01Å; Q766-A770 WeakPolarHBondContact O-CB 3.37Å; Q766-A770 PolarHBondContact O-N 3.41Å
767	V	95.8	Very high	95.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-36	174.7	169.1	0	0	0	0	112	I736 L737 A763 L771 S774 I776 H862	I736-V767 HydrophobicContact CG2-CG2 4.19Å; L737-V767 HydrophobicContact CD1-CG2 4.36Å; A763-V767 WeakPolarHBondContact O-CB 3.28Å; A763-V767 VanDerWaalsContact O-CG2 3.26Å; A763-V767 WeakPolarHBondContact O-CG2 3.45Å; A763-V767 PolarHBondContact O-N 3.1Å; V767-L771 HydrophobicContact CG1-CD1 4.49Å; V767-L771 WeakPolarHBondContact O-CB 3.38Å; V767-L771 PolarHBondContact O-N 3.06Å; V767-S774 PolarHBondContact O-OG 3.19Å; V767-I776 HydrophobicContact CB-CD1 4.07Å; V767-I776 HydrophobicContact CG1-CD1 3.66Å; V767-I776 HydrophobicContact CG1-CG1 4.06Å; V767-H862 HydrophobicContact CG1-CB 4.38Å; V767-H862 VanDerWaalsContact CG1-CD2 3.45Å; V767-H862 WeakPolarHBondContact CG1-CD2 3.31Å
768	H	95.5	Very high	95.4	Very high	14 Å²	14	27.1 Å²	27.1	7%	0.065	15%	0.145	C	C	.	.	H	α-helix	trans	-67	-44.5	178.1	177	66.1	0	0	0	112.8	V764 L765 Q766 I776 T803 R838 I839	V764-H768 WeakPolarHBondContact O-CB 3.44Å; V764-H768 PolarHBondContact O-N 3.23Å; L765-H768 WeakPolarHBondContact O-CB 3.43Å; L765-H768 PolarHBondContact O-N 3.44Å; Q766-H768 VanDerWaalsContact C-N 3.31Å; Q766-H768 PolarHBondContact O-N 3.48Å; H768-I776 HydrophobicContact CB-CD1 4.05Å; H768-T803 WeakPolarHBondContact CE1-CG2 3.31Å; H768-T803 WeakPolarHBondContact NE2-CG2 3.38Å; H768-R838 VanDerWaalsContact CE1-CZ 3.49Å; H768-R838 PolarHBondContact CE1-NH1 3.4Å; H768-R838 PolarHBondContact ND1-NH2 3.39Å; H768-R838 PolarHBondContact O-NH1 3.27Å; H768-R838 PolarHBondContact O-NH2 3.48Å; H768-I839 HydrophobicContact CB-CD1 4.16Å
769	F	94.1	Very high	95.6	Very high	95 Å²	95	24.8 Å²	24.8	42%	0.417	13%	0.131	S	C	.	.	H	α-helix	trans	-85.9	-29.4	-175.7	-76.5	-69.1	0	0	0	114.4	F721 L765 Q766 V798 L799	F721-F769 HydrophobicContact CE1-CD2 4.07Å; F721-F769 HydrophobicContact CE1-CE2 4.31Å; F721-F769 AromaticContact CE2-CD2 3.98Å; F721-F769 HydrophobicContact CE2-CD2 3.98Å; F721-F769 HydrophobicContact CZ-CB 4.17Å; F721-F769 AromaticContact CZ-CD2 3.39Å; F721-F769 HydrophobicContact CZ-CD2 3.39Å; F721-F769 HydrophobicContact CZ-CE2 4.06Å; F721-F769 AromaticContact CZ-CG 3.98Å; F721-F769 HydrophobicContact CZ-CG 3.98Å; L765-F769 HydrophobicContact CD2-CE2 4.34Å; L765-F769 VanDerWaalsContact O-CD2 3.28Å; L765-F769 WeakPolarHBondContact O-CD2 3.27Å; L765-F769 PolarHBondContact O-N 3.48Å; Q766-F769 PolarHBondContact O-N 3.01Å; F769-V798 HydrophobicContact CD2-CG1 4.45Å; F769-V798 HydrophobicContact CE2-CB 4.33Å; F769-V798 HydrophobicContact CE2-CG1 3.48Å; F769-V798 VanDerWaalsContact CE2-CG1 3.48Å; F769-V798 HydrophobicContact CZ-CG1 3.73Å; F769-L799 HydrophobicContact CE2-CD2 4.23Å; F769-L799 HydrophobicContact CZ-CD2 4.45Å
770	A	92.7	Very high	95.6	Very high	30 Å²	30	24.8 Å²	24.8	25%	0.248	13%	0.131	C	C	.	.	H	α-helix	trans	-85.6	-26.7	-179.1	0	0	0	0	0	113.7	V650 M718 L737 Q766	V650-A770 HydrophobicContact CG1-CB 4.35Å; V650-A770 HydrophobicContact CG2-CB 3.92Å; M718-A770 HydrophobicContact CE-CB 3.64Å; L737-A770 HydrophobicContact CD1-CB 3.83Å; Q766-A770 WeakPolarHBondContact O-CB 3.37Å; Q766-A770 PolarHBondContact O-N 3.41Å
771	L	92.7	Very high	95.4	Very high	32 Å²	32	26 Å²	26	17%	0.168	14%	0.138	C	C	.	.			trans	-118.7	97.2	179.6	-62.5	174.9	0	0	0	109.3	Q649 V650 V767 D773 S774 R838	Q649-L771 HydrophobicContact CB-CD1 4.03Å; Q649-L771 HydrophobicContact CB-CD2 4.22Å; Q649-L771 VanDerWaalsContact NE2-CD1 3.31Å; V650-L771 HydrophobicContact CG2-CD1 4.46Å; V650-L771 HydrophobicContact CG2-CD2 3.63Å; V650-L771 HydrophobicContact CG2-CG 3.9Å; V767-L771 HydrophobicContact CG1-CD1 4.49Å; V767-L771 WeakPolarHBondContact O-CB 3.38Å; V767-L771 PolarHBondContact O-N 3.06Å; L771-D773 PolarHBondContact O-N 3.36Å; L771-S774 WeakPolarHBondContact O-CB 3.47Å; L771-S774 PolarHBondContact O-N 2.86Å; L771-S774 PolarHBondContact O-OG 2.74Å; L771-R838 PolarHBondContact O-NH2 2.86Å
772	P	89.7	Confident	95.1	Very high	92 Å²	92	27.1 Å²	27.1	60%	0.597	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.4	-177	-28.2	36.7	0	0	0	114.2	S774 R838	P772-S774 VanDerWaalsContact C-N 3.29Å; P772-S774 PolarHBondContact O-N 2.96Å; P772-R838 PolarHBondContact O-NE 3.3Å; P772-R838 VanDerWaalsContact O-NE 3.15Å; P772-R838 PolarHBondContact O-NH1 2.94Å; P772-R838 PolarHBondContact O-NH2 3.21Å
773	D	89.7	Confident	94.7	Very high	144 Å²	144	29.2 Å²	29.2	77%	0.77	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	2.2	-179.9	-52.1	-64.7	0	0	0	113.7	L771 R775	L771-D773 PolarHBondContact O-N 3.36Å; D773-R775 PolarHBondContact O-N 3.47Å
774	S	94.4	Very high	94.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	19%	0.188	C	C	.	.			trans	-68.9	129	-176.7	70.7	0	0	0	0	112.2	V767 L771 P772 R838 T861	V767-S774 PolarHBondContact O-OG 3.19Å; L771-S774 WeakPolarHBondContact O-CB 3.47Å; L771-S774 PolarHBondContact O-N 2.86Å; L771-S774 PolarHBondContact O-OG 2.74Å; P772-S774 VanDerWaalsContact C-N 3.29Å; P772-S774 PolarHBondContact O-N 2.96Å; S774-R838 PolarHBondContact O-NE 2.98Å; S774-R838 PolarHBondContact O-NH2 3.35Å; S774-R838 PolarHBondContact OG-NH2 3.49Å; S774-T861 WeakPolarHBondContact CA-OG1 3.28Å
775	R	95.6	Very high	94	Very high	80 Å²	80	34 Å²	34	30%	0.302	19%	0.193	S	C	.	.			trans	-115.7	112	169.8	-71.9	-175.2	175	-74.4	-3.2	107.4	D773 R836 F837 H859 F860 T861 H862	D773-R775 PolarHBondContact O-N 3.47Å; R775-R836 PolarHBondContact NH1-O 3.02Å; R775-F837 PolarHBondContact NH1-O 2.92Å; R775-H859 WeakPolarHBondContact CB-O 3.4Å; R775-H859 WeakPolarHBondContact CD-O 3.36Å; R775-F860 HydrophobicContact CB-CD1 4.38Å; R775-T861 PolarHBondContact N-OG1 3.17Å; R775-T861 PolarHBondContact O-N 3.42Å; R775-T861 PolarHBondContact O-OG1 2.9Å; R775-H862 PolarHBondContact O-N 3.33Å
776	I	98	Very high	93.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.9	-168.3	-49	178.9	0	0	0	109	V764 V767 H768 V778 R838 I839 I840 H862 F864	V764-I776 HydrophobicContact CG1-CD1 4.14Å; V764-I776 HydrophobicContact CG1-CG2 4.38Å; V764-I776 HydrophobicContact CG2-CG2 4.27Å; V764-I776 WeakPolarHBondContact O-CD1 3.47Å; V767-I776 HydrophobicContact CB-CD1 4.07Å; V767-I776 HydrophobicContact CG1-CD1 3.66Å; V767-I776 HydrophobicContact CG1-CG1 4.06Å; H768-I776 HydrophobicContact CB-CD1 4.05Å; I776-V778 HydrophobicContact CG2-CG2 3.95Å; I776-R838 PolarHBondContact N-O 3.22Å; I776-I839 HydrophobicContact CD1-CG1 4.34Å; I776-I839 WeakPolarHBondContact O-CA 3.26Å; I776-I840 PolarHBondContact O-N 2.69Å; I776-H862 WeakPolarHBondContact CA-O 3.45Å; I776-H862 HydrophobicContact CG1-CB 4.35Å; I776-H862 HydrophobicContact CG2-CB 4.38Å; I776-F864 HydrophobicContact CG2-CD2 3.62Å; I776-F864 HydrophobicContact CG2-CE2 3.72Å
777	L	98.1	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	108.7	173.1	176.1	61.9	0	0	0	109	I840 T842 F850 F860 H862 V863 F864 P879 L882	L777-I840 HydrophobicContact CD1-CB 4.02Å; L777-I840 HydrophobicContact CD1-CG2 3.89Å; L777-T842 HydrophobicContact CD1-CG2 3.61Å; L777-F850 HydrophobicContact CD1-CE2 4.15Å; L777-F860 HydrophobicContact CB-CB 4.39Å; L777-F860 HydrophobicContact CB-CD1 3.6Å; L777-F860 HydrophobicContact CB-CD2 4.45Å; L777-F860 HydrophobicContact CB-CE1 3.92Å; L777-F860 HydrophobicContact CB-CG 3.88Å; L777-F860 HydrophobicContact CB-CZ 4.47Å; L777-F860 HydrophobicContact CD1-CE1 4.44Å; L777-F860 HydrophobicContact CD1-CZ 4.43Å; L777-F860 HydrophobicContact CD2-CD2 3.96Å; L777-F860 HydrophobicContact CD2-CE2 3.99Å; L777-F860 HydrophobicContact CD2-CG 4.22Å; L777-F860 HydrophobicContact CD2-CZ 4.28Å; L777-H862 PolarHBondContact N-O 2.82Å; L777-V863 HydrophobicContact CB-CG2 3.78Å; L777-V863 HydrophobicContact CD2-CG2 3.87Å; L777-V863 HydrophobicContact CG-CG2 4.07Å; L777-V863 WeakPolarHBondContact O-CA 3.42Å; L777-F864 PolarHBondContact O-N 3.38Å; L777-P879 HydrophobicContact CD2-CB 3.91Å; L777-L882 HydrophobicContact CD2-CD1 3.77Å
778	V	98.3	Very high	93.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.8	175.7	-165.4	0	0	0	0	109.5	V764 I776 V789 I840 I841 T842 F864	V764-V778 HydrophobicContact CG2-CG2 3.91Å; I776-V778 HydrophobicContact CG2-CG2 3.95Å; V778-V789 HydrophobicContact CB-CG1 4.4Å; V778-V789 HydrophobicContact CG1-CG1 3.77Å; V778-V789 HydrophobicContact CG1-CG2 4.4Å; V778-I840 PolarHBondContact N-O 3Å; V778-I841 HydrophobicContact CB-CG1 4.38Å; V778-I841 WeakPolarHBondContact O-CA 3.34Å; V778-T842 PolarHBondContact O-N 2.94Å; V778-F864 CarbonylContact C-O 3.56Å; V778-F864 WeakPolarHBondContact CA-O 3.43Å; V778-F864 HydrophobicContact CB-CB 4.43Å; V778-F864 HydrophobicContact CG1-CB 3.99Å; V778-F864 HydrophobicContact CG2-CB 4.28Å
779	C	98	Very high	93.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.6	-177	-67.9	0	0	0	0	111.4	T842 F864 V865 D866 P879	C779-T842 WeakPolarHBondContact CA-O 3.41Å; C779-T842 WeakPolarHBondContact SG-CG2 3.32Å; C779-F864 PolarHBondContact N-O 2.81Å; C779-V865 HydrophobicContact CB-CG2 4.44Å; C779-V865 CarbonylContact O-C 3.5Å; C779-V865 WeakPolarHBondContact O-CA 3.26Å; C779-D866 PolarHBondContact O-N 3Å; C779-P879 HydrophobicContact CB-CB 4.31Å; C779-P879 HydrophobicContact CB-CG 4.08Å; C779-P879 WeakPolarHBondContact SG-CB 3.42Å
780	A	96	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.2	164.7	0	0	0	0	0	109.6	S782 A785 A786 T842 T843 C844	A780-S782 VanDerWaalsContact C-N 3.34Å; A780-S782 PolarHBondContact O-N 3.26Å; A780-A785 HydrophobicContact CB-CB 3.57Å; A780-A786 HydrophobicContact CB-CB 4.39Å; A780-T842 PolarHBondContact N-O 3.27Å; A780-T843 CarbonylContact O-C 3.5Å; A780-T843 WeakPolarHBondContact O-CA 3.16Å; A780-T843 WeakPolarHBondContact O-CB 3.17Å; A780-C844 PolarHBondContact O-N 3.18Å
781	P	94.1	Very high	93.7	Very high	27 Å²	27	32.3 Å²	32.3	18%	0.175	19%	0.185	C	C	.	.	S	Bend	trans	-65.5	-36.1	177.6	20.5	-27.6	0	0	0	112.4	D866 E867 Q870 A871	P781-D866 VanDerWaalsContact CD-O 3.3Å; P781-D866 WeakPolarHBondContact CD-O 3.45Å; P781-E867 HydrophobicContact CG-CB 4.38Å; P781-Q870 HydrophobicContact CG-CB 3.95Å; P781-A871 HydrophobicContact CB-CB 4.06Å; P781-A871 HydrophobicContact CG-CB 4.26Å
782	S	90	Very high	93.8	Very high	38 Å²	38	35.9 Å²	35.9	27%	0.266	20%	0.196	S	C	.	.	S	Bend	trans	-101.9	148.7	-179.5	71.5	0	0	0	0	113.6	A780 S784 A785 A786	A780-S782 VanDerWaalsContact C-N 3.34Å; A780-S782 PolarHBondContact O-N 3.26Å; S782-S784 VanDerWaalsContact C-N 3.27Å; S782-S784 PolarHBondContact O-N 3.24Å; S782-S784 PolarHBondContact OG-OG 2.84Å; S782-A785 PolarHBondContact O-N 3.28Å; S782-A785 VanDerWaalsContact OG-CB 3.28Å; S782-A785 WeakPolarHBondContact OG-CB 3.42Å; S782-A785 PolarHBondContact OG-N 3.38Å; S782-A786 PolarHBondContact O-N 3.19Å
783	N	89.4	Confident	94.1	Very high	47 Å²	47	31.6 Å²	31.6	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-34.8	172.8	-84.8	-59.3	0	0	0	112.2	A786 D787 R806 T843	N783-A786 PolarHBondContact O-N 2.92Å; N783-D787 WeakPolarHBondContact O-CB 3.48Å; N783-D787 VanDerWaalsContact O-CG 3.24Å; N783-D787 PolarHBondContact O-N 3.49Å; N783-R806 PolarHBondContact OD1-NH2 3.12Å; N783-T843 HydrophobicContact CB-CG2 4.32Å; N783-T843 VanDerWaalsContact OD1-CG2 3.28Å; N783-T843 WeakPolarHBondContact OD1-CG2 3.26Å
784	S	88.1	Confident	94.2	Very high	88 Å²	88	28 Å²	28	62%	0.615	15%	0.147	S	C	*	.	H	α-helix	trans	-68.6	-36.8	179.5	48.3	0	0	0	0	113	S782 L788	S782-S784 VanDerWaalsContact C-N 3.27Å; S782-S784 PolarHBondContact O-N 3.24Å; S782-S784 PolarHBondContact OG-OG 2.84Å; S784-L788 WeakPolarHBondContact O-CB 3.5Å; S784-L788 PolarHBondContact O-N 2.86Å
785	A	91.3	Very high	94.2	Very high	13 Å²	13	32.1 Å²	32.1	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-43.7	173.1	0	0	0	0	0	111.4	A780 S782 D787 L788 V789	A780-A785 HydrophobicContact CB-CB 3.57Å; S782-A785 PolarHBondContact O-N 3.28Å; S782-A785 VanDerWaalsContact OG-CB 3.28Å; S782-A785 WeakPolarHBondContact OG-CB 3.42Å; S782-A785 PolarHBondContact OG-N 3.38Å; A785-D787 VanDerWaalsContact C-N 3.32Å; A785-D787 PolarHBondContact O-N 2.99Å; A785-L788 PolarHBondContact O-N 3.42Å; A785-V789 WeakPolarHBondContact O-CG2 3.22Å; A785-V789 PolarHBondContact O-N 3.06Å
786	A	93.8	Very high	94	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-38.8	174.7	0	0	0	0	0	112.4	A780 S782 N783 V789 C790 I841	A780-A786 HydrophobicContact CB-CB 4.39Å; S782-A786 PolarHBondContact O-N 3.19Å; N783-A786 PolarHBondContact O-N 2.92Å; A786-V789 PolarHBondContact O-N 3.22Å; A786-C790 PolarHBondContact O-N 3.39Å; A786-C790 VanDerWaalsContact O-N 3.1Å; A786-I841 HydrophobicContact CB-CG2 4.15Å; A786-I841 VanDerWaalsContact O-CG2 3.22Å; A786-I841 WeakPolarHBondContact O-CG2 3.49Å
787	D	93.3	Very high	93.6	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.027	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-38.3	174.7	-75.5	21.8	0	0	0	112.5	N783 A785 V789 C790 L791 R806 R812	N783-D787 WeakPolarHBondContact O-CB 3.48Å; N783-D787 VanDerWaalsContact O-CG 3.24Å; N783-D787 PolarHBondContact O-N 3.49Å; A785-D787 VanDerWaalsContact C-N 3.32Å; A785-D787 PolarHBondContact O-N 2.99Å; D787-V789 VanDerWaalsContact C-N 3.34Å; D787-V789 PolarHBondContact O-N 3.47Å; D787-C790 WeakPolarHBondContact O-CB 3.35Å; D787-C790 PolarHBondContact O-N 3.16Å; D787-L791 WeakPolarHBondContact O-CB 3.45Å; D787-L791 PolarHBondContact O-N 2.67Å; D787-R806 IonicContact OD1-CZ 3.13Å; D787-R806 IonicContact OD1-NE 2.69Å; D787-R806 PolarHBondContact OD1-NE 2.84Å; D787-R806 IonicContact OD1-NH2 3.51Å; D787-R806 PolarHBondContact OD1-NH2 2.7Å; D787-R812 IonicContact OD1-CZ 3.14Å; D787-R812 IonicContact OD1-NH1 2.72Å; D787-R812 PolarHBondContact OD1-NH1 2.69Å; D787-R812 IonicContact OD1-NH2 3.15Å; D787-R812 IonicContact OD2-CZ 3.53Å; D787-R812 IonicContact OD2-NH1 2.81Å; D787-R812 PolarHBondContact OD2-NH1 2.73Å; D787-R812 IonicContact OD2-NH2 3.98Å; D787-R812 PolarHBondContact OD2-NH2 2.82Å
788	L	92.7	Very high	93.3	Very high	73 Å²	73	41 Å²	41	38%	0.382	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-43.2	174.2	-179.9	63.9	0	0	0	111.2	T757 S784 A785 C790 L791 R792	T757-L788 HydrophobicContact CG2-CD2 4.46Å; T757-L788 HydrophobicContact CG2-CG 4.34Å; S784-L788 WeakPolarHBondContact O-CB 3.5Å; S784-L788 PolarHBondContact O-N 2.86Å; A785-L788 PolarHBondContact O-N 3.42Å; L788-C790 VanDerWaalsContact C-N 3.34Å; L788-C790 PolarHBondContact O-N 2.87Å; L788-L791 PolarHBondContact O-N 2.9Å; L788-R792 HydrophobicContact CD1-CG 4.17Å; L788-R792 HydrophobicContact CG-CG 4.5Å; L788-R792 WeakPolarHBondContact O-CG 3.2Å; L788-R792 PolarHBondContact O-N 3.27Å
789	V	95.3	Very high	92.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-47.6	173.4	176	0	0	0	0	110.6	T757 I761 V778 A785 A786 D787 L791 R792 L793 I841	T757-V789 HydrophobicContact CG2-CG2 3.94Å; I761-V789 HydrophobicContact CD1-CB 4.35Å; I761-V789 HydrophobicContact CD1-CG1 3.76Å; V778-V789 HydrophobicContact CB-CG1 4.4Å; V778-V789 HydrophobicContact CG1-CG1 3.77Å; V778-V789 HydrophobicContact CG1-CG2 4.4Å; A785-V789 WeakPolarHBondContact O-CG2 3.22Å; A785-V789 PolarHBondContact O-N 3.06Å; A786-V789 PolarHBondContact O-N 3.22Å; D787-V789 VanDerWaalsContact C-N 3.34Å; D787-V789 PolarHBondContact O-N 3.47Å; V789-L791 PolarHBondContact O-N 3.26Å; V789-R792 PolarHBondContact O-N 3.04Å; V789-L793 HydrophobicContact CG1-CD1 3.9Å; V789-L793 PolarHBondContact O-N 3.39Å; V789-I841 HydrophobicContact CB-CG2 4.44Å; V789-I841 HydrophobicContact CG1-CD1 4.02Å; V789-I841 HydrophobicContact CG1-CG2 4.46Å
790	C	95.4	Very high	92.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-41.9	179.9	-166.8	0	0	0	0	112.5	A786 D787 L788 H794 V821 I841	A786-C790 PolarHBondContact O-N 3.39Å; A786-C790 VanDerWaalsContact O-N 3.1Å; D787-C790 WeakPolarHBondContact O-CB 3.35Å; D787-C790 PolarHBondContact O-N 3.16Å; L788-C790 VanDerWaalsContact C-N 3.34Å; L788-C790 PolarHBondContact O-N 2.87Å; C790-H794 WeakPolarHBondContact O-CB 3.45Å; C790-H794 PolarHBondContact O-N 3.39Å; C790-V821 HydrophobicContact CB-CG1 4.28Å; C790-V821 HydrophobicContact CB-CG2 4.45Å; C790-I841 HydrophobicContact CB-CD1 3.8Å; C790-I841 HydrophobicContact CB-CG2 4.42Å
791	L	94.7	Very high	91.7	Very high	32 Å²	32	53.6 Å²	53.6	17%	0.168	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-46.6	177.3	179.3	61.9	0	0	0	111.2	D787 L788 V789 L793 H794 E795 I818 A820 V821	D787-L791 WeakPolarHBondContact O-CB 3.45Å; D787-L791 PolarHBondContact O-N 2.67Å; L788-L791 PolarHBondContact O-N 2.9Å; V789-L791 PolarHBondContact O-N 3.26Å; L791-L793 VanDerWaalsContact C-N 3.34Å; L791-L793 PolarHBondContact O-N 3.41Å; L791-H794 WeakPolarHBondContact O-CB 3.36Å; L791-H794 PolarHBondContact O-N 3.05Å; L791-E795 HydrophobicContact CD1-CG 4.38Å; L791-E795 HydrophobicContact CG-CG 4.46Å; L791-E795 WeakPolarHBondContact O-CB 3.45Å; L791-E795 WeakPolarHBondContact O-CG 3.36Å; L791-E795 PolarHBondContact O-N 2.77Å; L791-I818 HydrophobicContact CD2-CD1 4.4Å; L791-A820 HydrophobicContact CD1-CB 3.88Å; L791-V821 HydrophobicContact CB-CG2 4.26Å
792	R	94	Very high	91.3	Very high	108 Å²	108	56 Å²	56	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-65.7	-34.3	178.4	-66.3	-48.2	-166.9	165.3	2.2	113	I761 L788 V789 E795 S796	I761-R792 HydrophobicContact CD1-CB 4.24Å; I761-R792 HydrophobicContact CG1-CB 3.49Å; I761-R792 VanDerWaalsContact CG1-CB 3.49Å; L788-R792 HydrophobicContact CD1-CG 4.17Å; L788-R792 HydrophobicContact CG-CG 4.5Å; L788-R792 WeakPolarHBondContact O-CG 3.2Å; L788-R792 PolarHBondContact O-N 3.27Å; V789-R792 PolarHBondContact O-N 3.04Å; R792-E795 WeakPolarHBondContact CD-OE2 3.46Å; R792-E795 IonicContact CZ-OE2 2.87Å; R792-E795 IonicContact NE-OE2 2.67Å; R792-E795 IonicContact NH1-OE1 2.69Å; R792-E795 IonicContact NH1-OE2 3.95Å; R792-E795 PolarHBondContact NH1-OE2 2.9Å; R792-S796 PolarHBondContact O-N 2.97Å
793	L	95.3	Very high	91.4	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-70	-35.6	172.6	-76.7	164.3	0	0	0	112.1	I761 V764 L765 V789 L791 S796 L799 M804 I839 I841	I761-L793 HydrophobicContact CB-CD2 4.39Å; I761-L793 HydrophobicContact CD1-CD1 4.27Å; I761-L793 HydrophobicContact CD1-CD2 4.47Å; I761-L793 HydrophobicContact CD1-CG 3.92Å; I761-L793 HydrophobicContact CG1-CD2 4.37Å; I761-L793 HydrophobicContact CG1-CG 4.06Å; I761-L793 HydrophobicContact CG2-CD2 3.95Å; I761-L793 HydrophobicContact CG2-CG 4.42Å; V764-L793 HydrophobicContact CG1-CD1 4.19Å; V764-L793 HydrophobicContact CG1-CD2 4.11Å; L765-L793 HydrophobicContact CD2-CD2 3.93Å; L765-L793 HydrophobicContact CG-CD2 3.98Å; V789-L793 HydrophobicContact CG1-CD1 3.9Å; V789-L793 PolarHBondContact O-N 3.39Å; L791-L793 VanDerWaalsContact C-N 3.34Å; L791-L793 PolarHBondContact O-N 3.41Å; L793-S796 WeakPolarHBondContact O-CB 3.44Å; L793-S796 PolarHBondContact O-OG 3.12Å; L793-L799 HydrophobicContact CB-CD1 4.15Å; L793-L799 HydrophobicContact CD2-CD1 4.11Å; L793-M804 HydrophobicContact CB-CE 4.16Å; L793-M804 HydrophobicContact CB-SD 3.58Å; L793-M804 VanDerWaalsContact CB-SD 3.58Å; L793-M804 HydrophobicContact CD1-SD 3.82Å; L793-M804 HydrophobicContact CG-SD 4.32Å; L793-I839 HydrophobicContact CD1-CG2 4.47Å; L793-I841 HydrophobicContact CD1-CD1 3.78Å
794	H	93.6	Very high	91.6	Very high	70 Å²	70	53.3 Å²	53.3	32%	0.324	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-48.4	170.7	172.9	79.9	0	0	0	112.2	C790 L791 S796 K797 Y824	C790-H794 WeakPolarHBondContact O-CB 3.45Å; C790-H794 PolarHBondContact O-N 3.39Å; L791-H794 WeakPolarHBondContact O-CB 3.36Å; L791-H794 PolarHBondContact O-N 3.05Å; H794-S796 PolarHBondContact O-N 2.86Å; H794-S796 VanDerWaalsContact O-N 3.15Å; H794-K797 PolarHBondContact O-N 3.05Å; H794-Y824 HydrophobicContact CB-CE2 3.97Å; H794-Y824 AromaticContact ND1-CE2 3.57Å; H794-Y824 AromaticContact ND1-CZ 3.69Å; H794-Y824 PolarHBondContact ND1-OH 3.01Å
795	E	93.2	Very high	92	Very high	88 Å²	88	49.1 Å²	49.1	41%	0.411	26%	0.26	S	S	.	.	H	α-helix	trans	-56.1	-29.9	177.5	-76.8	173.8	-174.2	0	0	113.2	L791 R792 K797	L791-E795 HydrophobicContact CD1-CG 4.38Å; L791-E795 HydrophobicContact CG-CG 4.46Å; L791-E795 WeakPolarHBondContact O-CB 3.45Å; L791-E795 WeakPolarHBondContact O-CG 3.36Å; L791-E795 PolarHBondContact O-N 2.77Å; R792-E795 WeakPolarHBondContact CD-OE2 3.46Å; R792-E795 IonicContact CZ-OE2 2.87Å; R792-E795 IonicContact NE-OE2 2.67Å; R792-E795 IonicContact NH1-OE1 2.69Å; R792-E795 IonicContact NH1-OE2 3.95Å; R792-E795 PolarHBondContact NH1-OE2 2.9Å; E795-K797 PolarHBondContact O-N 3.31Å
796	S	91.8	Very high	92.2	Very high	38 Å²	38	48.5 Å²	48.5	27%	0.266	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29	176.2	81.8	0	0	0	0	113.5	R792 L793 H794 V798	R792-S796 PolarHBondContact O-N 2.97Å; L793-S796 WeakPolarHBondContact O-CB 3.44Å; L793-S796 PolarHBondContact O-OG 3.12Å; H794-S796 PolarHBondContact O-N 2.86Å; H794-S796 VanDerWaalsContact O-N 3.15Å; S796-V798 WeakPolarHBondContact O-CG2 3.42Å; S796-V798 PolarHBondContact O-N 3.08Å; S796-V798 PolarHBondContact OG-N 2.9Å
797	K	89.7	Confident	92.2	Very high	184 Å²	184	48.5 Å²	48.5	80%	0.8	25%	0.254	S	S	*	.			trans	55.7	11.9	-175.1	-59.3	172.2	-173.4	177.3	0	115.4	H794 E795	H794-K797 PolarHBondContact O-N 3.05Å; E795-K797 PolarHBondContact O-N 3.31Å
798	V	90.6	Very high	92	Very high	43 Å²	43	48.6 Å²	48.6	26%	0.261	26%	0.255	S	S	.	.			trans	-84.4	-32.1	179.2	-162.5	0	0	0	0	111.9	F721 L765 F769 S796	F721-V798 HydrophobicContact CD1-CG1 3.78Å; F721-V798 HydrophobicContact CD1-CG2 4.04Å; F721-V798 HydrophobicContact CE1-CG1 3.66Å; L765-V798 HydrophobicContact CD1-CG2 4.39Å; L765-V798 HydrophobicContact CD2-CB 4.36Å; F769-V798 HydrophobicContact CD2-CG1 4.45Å; F769-V798 HydrophobicContact CE2-CB 4.33Å; F769-V798 HydrophobicContact CE2-CG1 3.48Å; F769-V798 VanDerWaalsContact CE2-CG1 3.48Å; F769-V798 HydrophobicContact CZ-CG1 3.73Å; S796-V798 WeakPolarHBondContact O-CG2 3.42Å; S796-V798 PolarHBondContact O-N 3.08Å; S796-V798 PolarHBondContact OG-N 2.9Å
799	L	91.4	Very high	91.5	Very high	21 Å²	21	46.4 Å²	46.4	11%	0.11	25%	0.247	C	C	.	.	S	Bend	trans	-80	131.6	-177	-64.6	179.8	0	0	0	112.1	L765 F769 L793 T803 M804 I839	L765-L799 HydrophobicContact CD2-CD1 4.23Å; L765-L799 HydrophobicContact CD2-CD2 3.68Å; L765-L799 HydrophobicContact CD2-CG 3.73Å; F769-L799 HydrophobicContact CE2-CD2 4.23Å; F769-L799 HydrophobicContact CZ-CD2 4.45Å; L793-L799 HydrophobicContact CB-CD1 4.15Å; L793-L799 HydrophobicContact CD2-CD1 4.11Å; L799-T803 HydrophobicContact CD2-CG2 4.05Å; L799-M804 HydrophobicContact CD1-CB 4.28Å; L799-M804 HydrophobicContact CD1-SD 4Å; L799-I839 HydrophobicContact CD1-CD1 3.73Å; L799-I839 HydrophobicContact CD2-CD1 3.82Å; L799-I839 HydrophobicContact CG-CD1 4.46Å
800	Q	87.5	Confident	90.4	Very high	137 Å²	137	49.9 Å²	49.9	64%	0.64	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-67.9	153.4	172.4	-63.1	-60.2	-31.8	0	0	111.9	T803	Q800-T803 WeakPolarHBondContact O-CB 3.5Å; Q800-T803 PolarHBondContact O-N 3.15Å; Q800-T803 PolarHBondContact O-OG1 2.89Å
801	P	81.2	Confident	89.2	Confident	109 Å²	109	52.1 Å²	52.1	71%	0.708	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	147.7	165	-24.7	34.9	0	0	0	111.5	T803	P801-T803 PolarHBondContact O-N 2.91Å
802	A	85.2	Confident	88.3	Confident	77 Å²	77	52.9 Å²	52.9	64%	0.636	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	3.4	-175.1	0	0	0	0	0	117.3	F837	A802-F837 HydrophobicContact CB-CE1 4.45Å; A802-F837 WeakPolarHBondContact O-CD1 3.26Å; A802-F837 WeakPolarHBondContact O-CE1 3.38Å
803	T	91.4	Very high	87.2	Confident	26 Å²	26	51.5 Å²	51.5	16%	0.16	28%	0.281	C	S	.	.	S	Bend	trans	-77	-33.5	170.4	-66.2	0	0	0	0	113.2	H768 L799 Q800 P801 R838 I839	H768-T803 WeakPolarHBondContact CE1-CG2 3.31Å; H768-T803 WeakPolarHBondContact NE2-CG2 3.38Å; L799-T803 HydrophobicContact CD2-CG2 4.05Å; Q800-T803 WeakPolarHBondContact O-CB 3.5Å; Q800-T803 PolarHBondContact O-N 3.15Å; Q800-T803 PolarHBondContact O-OG1 2.89Å; P801-T803 PolarHBondContact O-N 2.91Å; T803-R838 PolarHBondContact O-N 2.68Å; T803-I839 HydrophobicContact CG2-CD1 4.21Å; T803-I839 HydrophobicContact CG2-CG1 4.47Å; T803-I839 PolarHBondContact O-N 2.72Å; T803-I839 VanDerWaalsContact O-N 3.15Å
804	M	95.3	Very high	86.1	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.4	-172	-177.3	177.5	73	0	0	112.2	L793 L799 Y824 F837 I839 I841	L793-M804 HydrophobicContact CB-CE 4.16Å; L793-M804 HydrophobicContact CB-SD 3.58Å; L793-M804 VanDerWaalsContact CB-SD 3.58Å; L793-M804 HydrophobicContact CD1-SD 3.82Å; L793-M804 HydrophobicContact CG-SD 4.32Å; L799-M804 HydrophobicContact CD1-CB 4.28Å; L799-M804 HydrophobicContact CD1-SD 4Å; M804-Y824 HydrophobicContact CB-CD1 4.43Å; M804-Y824 HydrophobicContact CB-CE1 4.5Å; M804-Y824 HydrophobicContact CE-CD1 3.68Å; M804-Y824 HydrophobicContact CE-CD2 4.16Å; M804-Y824 HydrophobicContact CE-CE1 3.51Å; M804-Y824 HydrophobicContact CE-CE2 4.01Å; M804-Y824 HydrophobicContact CE-CG 4Å; M804-Y824 WeakPolarHBondContact O-CD1 3Å; M804-F837 VanDerWaalsContact C-CD1 3.48Å; M804-F837 WeakPolarHBondContact O-CE1 3.43Å; M804-I839 CarbonylContact C-O 3.07Å; M804-I839 VanDerWaalsContact CA-O 3.3Å; M804-I839 WeakPolarHBondContact CA-O 3.38Å; M804-I839 HydrophobicContact CB-CB 4.22Å; M804-I839 HydrophobicContact CG-CB 4.2Å; M804-I839 HydrophobicContact CG-CG2 4Å; M804-I839 HydrophobicContact SD-CG2 4.49Å; M804-I841 HydrophobicContact CG-CD1 3.93Å; M804-I841 HydrophobicContact CG-CG1 4.41Å; M804-I841 HydrophobicContact SD-CD1 3.48Å; M804-I841 WeakPolarHBondContact SD-CD1 3.35Å
805	V	95.8	Very high	84.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.8	177.8	65.6	0	0	0	0	112.3	D827 G828 A834 F837 I839 I840 I841	V805-D827 VanDerWaalsContact CG2-C 3.47Å; V805-D827 HydrophobicContact CG2-CB 4.17Å; V805-G828 VanDerWaalsContact CG2-N 3.27Å; V805-A834 HydrophobicContact CG1-CB 4.19Å; V805-A834 HydrophobicContact CG2-CB 4.2Å; V805-F837 HydrophobicContact CB-CB 4.32Å; V805-F837 HydrophobicContact CB-CD1 3.63Å; V805-F837 HydrophobicContact CB-CD2 3.94Å; V805-F837 HydrophobicContact CB-CE1 3.78Å; V805-F837 HydrophobicContact CB-CE2 4.09Å; V805-F837 HydrophobicContact CB-CG 3.71Å; V805-F837 HydrophobicContact CB-CZ 4.03Å; V805-F837 HydrophobicContact CG1-CB 3.69Å; V805-F837 HydrophobicContact CG1-CD1 3.99Å; V805-F837 HydrophobicContact CG1-CD2 3.87Å; V805-F837 HydrophobicContact CG1-CE2 4.48Å; V805-F837 HydrophobicContact CG1-CG 3.59Å; V805-F837 HydrophobicContact CG2-CD2 4.43Å; V805-F837 HydrophobicContact CG2-CE1 4.49Å; V805-F837 HydrophobicContact CG2-CE2 4.25Å; V805-F837 HydrophobicContact CG2-CZ 4.29Å; V805-I839 PolarHBondContact N-O 2.69Å; V805-I840 HydrophobicContact CG1-CB 4.22Å; V805-I840 HydrophobicContact CG1-CG1 3.86Å; V805-I840 HydrophobicContact CG1-CG2 4.21Å; V805-I841 PolarHBondContact O-N 3.35Å
806	R	95	Very high	84.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	103.9	179.1	-179.6	70.2	-172.8	81.4	12.3	110.7	N783 D787 N808 V821 Y824 I841	N783-R806 PolarHBondContact OD1-NH2 3.12Å; D787-R806 IonicContact OD1-CZ 3.13Å; D787-R806 IonicContact OD1-NE 2.69Å; D787-R806 PolarHBondContact OD1-NE 2.84Å; D787-R806 IonicContact OD1-NH2 3.51Å; D787-R806 PolarHBondContact OD1-NH2 2.7Å; R806-N808 PolarHBondContact NH2-OD1 2.98Å; R806-N808 PolarHBondContact O-N 3.32Å; R806-V821 HydrophobicContact CG-CG1 4.01Å; R806-Y824 PolarHBondContact N-O 3.43Å; R806-I841 CarbonylContact C-O 3.55Å; R806-I841 WeakPolarHBondContact CA-O 3.42Å; R806-I841 PolarHBondContact NH1-O 3.15Å
807	V	94.1	Very high	83.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	107.1	179.7	178.3	0	0	0	0	110.2	I831 A834 I840 I841 L849 F850	V807-I831 HydrophobicContact CG1-CD1 3.87Å; V807-A834 HydrophobicContact CG2-CB 3.74Å; V807-I840 HydrophobicContact CG2-CG2 3.99Å; V807-I841 PolarHBondContact N-O 3.4Å; V807-L849 HydrophobicContact CG1-CD1 3.96Å; V807-F850 HydrophobicContact CG2-CZ 4.25Å
808	N	89.5	Confident	83.6	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.043	30%	0.302	C	S	.	.			trans	-81.7	153	179.9	-78.3	-46.9	0	0	0	112.8	R469 R806 R812 C825	R469-N808 PolarHBondContact NH1-O 2.96Å; R469-N808 PolarHBondContact NH2-O 2.71Å; R806-N808 PolarHBondContact NH2-OD1 2.98Å; R806-N808 PolarHBondContact O-N 3.32Å; N808-R812 HydrophobicContact CB-CB 4.44Å; N808-R812 WeakPolarHBondContact OD1-CD 3.2Å; N808-R812 PolarHBondContact OD1-NH1 3.06Å; N808-C825 PolarHBondContact ND2-SG 3.25Å
809	A	81.4	Confident	83.4	Confident	26 Å²	26	58.6 Å²	58.6	22%	0.215	32%	0.319	C	S	.	.			trans	-61.4	145	166.3	0	0	0	0	0	110.7	C811 R812 S846	A809-C811 VanDerWaalsContact C-N 3.27Å; A809-C811 PolarHBondContact O-N 2.9Å; A809-R812 VanDerWaalsContact O-CB 3.3Å; A809-R812 WeakPolarHBondContact O-CB 3.27Å; A809-R812 PolarHBondContact O-N 3.1Å; A809-R812 VanDerWaalsContact O-N 3.14Å; A809-S846 WeakPolarHBondContact CA-OG 3.31Å
810	T	72.1	Confident	83.3	Confident	75 Å²	75	59.1 Å²	59.1	46%	0.46	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.4	-169.6	-39.6	0	0	0	0	114.4
811	C	70.9	Confident	83.4	Confident	47 Å²	47	52.6 Å²	52.6	32%	0.318	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	22.6	-177.4	-52.8	0	0	0	0	112.7	A562 A809	A562-C811 WeakPolarHBondContact O-CB 3.38Å; A562-C811 PolarHBondContact O-SG 3.03Å; A809-C811 VanDerWaalsContact C-N 3.27Å; A809-C811 PolarHBondContact O-N 2.9Å
812	R	76.3	Confident	83.9	Confident	48 Å²	48	49.9 Å²	49.9	18%	0.181	27%	0.273	C	S	.	.			trans	-95.5	117.7	-177.5	-167.6	-170.2	179.5	178.6	1.1	111.4	D787 N808 A809 I816	D787-R812 IonicContact OD1-CZ 3.14Å; D787-R812 IonicContact OD1-NH1 2.72Å; D787-R812 PolarHBondContact OD1-NH1 2.69Å; D787-R812 IonicContact OD1-NH2 3.15Å; D787-R812 IonicContact OD2-CZ 3.53Å; D787-R812 IonicContact OD2-NH1 2.81Å; D787-R812 PolarHBondContact OD2-NH1 2.73Å; D787-R812 IonicContact OD2-NH2 3.98Å; D787-R812 PolarHBondContact OD2-NH2 2.82Å; N808-R812 HydrophobicContact CB-CB 4.44Å; N808-R812 WeakPolarHBondContact OD1-CD 3.2Å; N808-R812 PolarHBondContact OD1-NH1 3.06Å; A809-R812 VanDerWaalsContact O-CB 3.3Å; A809-R812 WeakPolarHBondContact O-CB 3.27Å; A809-R812 PolarHBondContact O-N 3.1Å; A809-R812 VanDerWaalsContact O-N 3.14Å; R812-I816 PolarHBondContact NH2-O 3.28Å
813	F	70.9	Confident	84.1	Confident	80 Å²	80	49.6 Å²	49.6	35%	0.351	27%	0.265	S	S	.	.			trans	-56	137	168.6	-60.4	-71	0	0	0	112.4	A562 E815 I816	A562-F813 HydrophobicContact CB-CE1 4.04Å; A562-F813 HydrophobicContact CB-CZ 3.77Å; F813-E815 VanDerWaalsContact C-N 3.34Å; F813-E815 WeakPolarHBondContact CB-OE2 3.31Å; F813-I816 HydrophobicContact CB-CD1 3.88Å; F813-I816 HydrophobicContact CB-CG1 3.97Å; F813-I816 HydrophobicContact CD2-CD1 3.91Å; F813-I816 HydrophobicContact CG-CD1 4.3Å
814	E	70.6	Confident	84.1	Confident	98 Å²	98	50.3 Å²	50.3	46%	0.458	27%	0.265	S	S	.	.	S	Bend	trans	-77.8	-25.2	-178	-170.8	165.8	171.8	0	0	111.2	I816 V817 K822	E814-I816 VanDerWaalsContact C-N 3.28Å; E814-I816 PolarHBondContact O-N 3.37Å; E814-V817 WeakPolarHBondContact O-CB 3.33Å; E814-V817 PolarHBondContact O-N 2.86Å; E814-V817 VanDerWaalsContact O-N 3.12Å; E814-K822 WeakPolarHBondContact O-CE 3.44Å
815	E	70.1	Confident	83.9	Confident	145 Å²	145	50.5 Å²	50.5	68%	0.678	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-32.7	177.5	-59.1	67.7	-147.1	0	0	111.9	F813 V817	F813-E815 VanDerWaalsContact C-N 3.34Å; F813-E815 WeakPolarHBondContact CB-OE2 3.31Å; E815-V817 VanDerWaalsContact C-N 3.27Å; E815-V817 PolarHBondContact O-N 2.98Å
816	I	78.1	Confident	83.4	Confident	117 Å²	117	59 Å²	59	60%	0.6	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	1.9	-179.8	-47.5	177.3	0	0	0	111.3	R812 F813 E814	R812-I816 PolarHBondContact NH2-O 3.28Å; F813-I816 HydrophobicContact CB-CD1 3.88Å; F813-I816 HydrophobicContact CB-CG1 3.97Å; F813-I816 HydrophobicContact CD2-CD1 3.91Å; F813-I816 HydrophobicContact CG-CD1 4.3Å; E814-I816 VanDerWaalsContact C-N 3.28Å; E814-I816 PolarHBondContact O-N 3.37Å
817	V	82.5	Confident	83	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.042	31%	0.311	C	S	.	.	S	Bend	trans	-89.7	131.9	174.3	-174.2	0	0	0	0	109	E814 E815 D819 V821 K822	E814-V817 WeakPolarHBondContact O-CB 3.33Å; E814-V817 PolarHBondContact O-N 2.86Å; E814-V817 VanDerWaalsContact O-N 3.12Å; E815-V817 VanDerWaalsContact C-N 3.27Å; E815-V817 PolarHBondContact O-N 2.98Å; V817-D819 PolarHBondContact O-N 2.7Å; V817-V821 HydrophobicContact CG1-CB 3.89Å; V817-V821 HydrophobicContact CG1-CG1 3.88Å; V817-K822 HydrophobicContact CB-CG 3.93Å; V817-K822 HydrophobicContact CG1-CG 3.81Å; V817-K822 WeakPolarHBondContact O-CE 3.47Å
818	I	85.6	Confident	82.6	Confident	89 Å²	89	61.4 Å²	61.4	46%	0.456	31%	0.311	S	S	.	.			trans	-61.6	136.3	174.8	-57.1	172.3	0	0	0	109	L791 A820 V821 K822	L791-I818 HydrophobicContact CD2-CD1 4.4Å; I818-A820 VanDerWaalsContact C-N 3.25Å; I818-A820 PolarHBondContact O-N 3.01Å; I818-A820 VanDerWaalsContact O-N 3.14Å; I818-V821 HydrophobicContact CB-CG2 4.33Å; I818-V821 WeakPolarHBondContact O-CA 3.19Å; I818-V821 WeakPolarHBondContact O-CB 3.43Å; I818-V821 PolarHBondContact O-N 3.41Å; I818-K822 PolarHBondContact O-N 2.94Å
819	D	87.2	Confident	82.4	Confident	116 Å²	116	62.8 Å²	62.8	62%	0.62	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.8	-173.1	-66.2	-55.2	0	0	0	114.2	V817 V821 K822 P823	V817-D819 PolarHBondContact O-N 2.7Å; D819-V821 PolarHBondContact O-N 2.66Å; D819-K822 PolarHBondContact O-N 3.5Å; D819-K822 WeakPolarHBondContact OD1-CD 3.34Å; D819-K822 WeakPolarHBondContact OD1-CE 3.46Å; D819-K822 IonicContact OD1-NZ 2.64Å; D819-K822 PolarHBondContact OD1-NZ 3.14Å; D819-P823 WeakPolarHBondContact O-CD 3.32Å
820	A	88.3	Confident	82.7	Confident	32 Å²	32	64.6 Å²	64.6	26%	0.264	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.6	173.7	0	0	0	0	0	113.9	L791 I818	L791-A820 HydrophobicContact CD1-CB 3.88Å; I818-A820 VanDerWaalsContact C-N 3.25Å; I818-A820 PolarHBondContact O-N 3.01Å; I818-A820 VanDerWaalsContact O-N 3.14Å
821	V	90.5	Very high	83.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-30.6	179.4	179	0	0	0	0	111.8	C790 L791 R806 V817 I818 D819 P823 Y824 C825	C790-V821 HydrophobicContact CB-CG1 4.28Å; C790-V821 HydrophobicContact CB-CG2 4.45Å; L791-V821 HydrophobicContact CB-CG2 4.26Å; R806-V821 HydrophobicContact CG-CG1 4.01Å; V817-V821 HydrophobicContact CG1-CB 3.89Å; V817-V821 HydrophobicContact CG1-CG1 3.88Å; I818-V821 HydrophobicContact CB-CG2 4.33Å; I818-V821 WeakPolarHBondContact O-CA 3.19Å; I818-V821 WeakPolarHBondContact O-CB 3.43Å; I818-V821 PolarHBondContact O-N 3.41Å; D819-V821 PolarHBondContact O-N 2.66Å; V821-P823 VanDerWaalsContact C-CD 3.44Å; V821-Y824 PolarHBondContact O-N 2.81Å; V821-C825 PolarHBondContact O-N 3.28Å; V821-C825 PolarHBondContact O-SG 2.95Å
822	K	90.5	Very high	84.3	Confident	52 Å²	52	64.3 Å²	64.3	23%	0.226	31%	0.307	C	S	.	.	H	α-helix	trans	-47.9	-42.8	179.3	-72.3	179.9	-179.4	153.8	0	114.7	E814 V817 I818 D819 Y824 C825	E814-K822 WeakPolarHBondContact O-CE 3.44Å; V817-K822 HydrophobicContact CB-CG 3.93Å; V817-K822 HydrophobicContact CG1-CG 3.81Å; V817-K822 WeakPolarHBondContact O-CE 3.47Å; I818-K822 PolarHBondContact O-N 2.94Å; D819-K822 PolarHBondContact O-N 3.5Å; D819-K822 WeakPolarHBondContact OD1-CD 3.34Å; D819-K822 WeakPolarHBondContact OD1-CE 3.46Å; D819-K822 IonicContact OD1-NZ 2.64Å; D819-K822 PolarHBondContact OD1-NZ 3.14Å; K822-Y824 PolarHBondContact O-N 3.18Å; K822-C825 WeakPolarHBondContact O-CB 3.32Å; K822-C825 PolarHBondContact O-N 2.65Å
823	P	89.8	Confident	84.8	Confident	72 Å²	72	66.1 Å²	66.1	47%	0.468	32%	0.317	S	S	.	.	H	α-helix	trans	-55.2	-36	177.3	-29	35.8	0	0	0	114.4	D819 V821	D819-P823 WeakPolarHBondContact O-CD 3.32Å; V821-P823 VanDerWaalsContact C-CD 3.44Å
824	Y	92.2	Very high	85.8	Confident	41 Å²	41	62.3 Å²	62.3	16%	0.161	30%	0.3	C	S	.	.	H	α-helix	trans	-81.6	-15.1	-179.3	-57.8	-78.6	0	0	0	113.2	H794 M804 R806 V821 K822	H794-Y824 HydrophobicContact CB-CE2 3.97Å; H794-Y824 AromaticContact ND1-CE2 3.57Å; H794-Y824 AromaticContact ND1-CZ 3.69Å; H794-Y824 PolarHBondContact ND1-OH 3.01Å; M804-Y824 HydrophobicContact CB-CD1 4.43Å; M804-Y824 HydrophobicContact CB-CE1 4.5Å; M804-Y824 HydrophobicContact CE-CD1 3.68Å; M804-Y824 HydrophobicContact CE-CD2 4.16Å; M804-Y824 HydrophobicContact CE-CE1 3.51Å; M804-Y824 HydrophobicContact CE-CE2 4.01Å; M804-Y824 HydrophobicContact CE-CG 4Å; M804-Y824 WeakPolarHBondContact O-CD1 3Å; R806-Y824 PolarHBondContact N-O 3.43Å; V821-Y824 PolarHBondContact O-N 2.81Å; K822-Y824 PolarHBondContact O-N 3.18Å
825	C	90.3	Very high	86.8	Confident	8 Å²	8	58.1 Å²	58.1	5%	0.054	28%	0.282	C	S	.	.	H	α-helix	trans	-78.7	-34	179.8	-64.5	0	0	0	0	113.2	N808 V821 K822 D827 G828 E829	N808-C825 PolarHBondContact ND2-SG 3.25Å; V821-C825 PolarHBondContact O-N 3.28Å; V821-C825 PolarHBondContact O-SG 2.95Å; K822-C825 WeakPolarHBondContact O-CB 3.32Å; K822-C825 PolarHBondContact O-N 2.65Å; C825-D827 VanDerWaalsContact C-N 3.32Å; C825-D827 PolarHBondContact O-N 3.36Å; C825-G828 CarbonylContact O-C 3.48Å; C825-G828 WeakPolarHBondContact O-CA 3.21Å; C825-G828 PolarHBondContact O-N 3.15Å; C825-E829 PolarHBondContact O-N 3.2Å
826	R	86.2	Confident	87.8	Confident	178 Å²	178	59.9 Å²	59.9	67%	0.672	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-57.1	-43.2	-173.6	-62.1	-173	-62.5	178.6	1	113.2	G828	R826-G828 VanDerWaalsContact C-N 3.28Å
827	D	85.7	Confident	88.6	Confident	50 Å²	50	55.2 Å²	55.2	27%	0.267	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-82.7	-7.3	177.7	-75.5	2.7	0	0	0	113.2	V805 C825 K833 F837	V805-D827 VanDerWaalsContact CG2-C 3.47Å; V805-D827 HydrophobicContact CG2-CB 4.17Å; C825-D827 VanDerWaalsContact C-N 3.32Å; C825-D827 PolarHBondContact O-N 3.36Å; D827-K833 HydrophobicContact CB-CD 4.09Å; D827-K833 WeakPolarHBondContact OD1-CE 3.45Å; D827-K833 IonicContact OD1-NZ 3.69Å; D827-K833 PolarHBondContact OD1-NZ 3Å; D827-K833 WeakPolarHBondContact OD2-CE 3.31Å; D827-K833 IonicContact OD2-NZ 3.83Å; D827-K833 PolarHBondContact OD2-NZ 3.05Å; D827-F837 HydrophobicContact CB-CE2 3.97Å; D827-F837 HydrophobicContact CB-CZ 3.63Å
828	G	86.7	Confident	89.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-88.1	-6.7	173.8	0	0	0	0	0	114.2	V805 C825 R826	V805-G828 VanDerWaalsContact CG2-N 3.27Å; C825-G828 CarbonylContact O-C 3.48Å; C825-G828 WeakPolarHBondContact O-CA 3.21Å; C825-G828 PolarHBondContact O-N 3.15Å; R826-G828 VanDerWaalsContact C-N 3.28Å
829	E	85.6	Confident	89.7	Confident	38 Å²	38	53.6 Å²	53.6	18%	0.178	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-49.2	171.9	-71.9	-55.7	123.3	0	0	111.7	R468 R469 C825 I831	R468-E829 HydrophobicContact CB-CB 4.26Å; R469-E829 WeakPolarHBondContact CD-O 3.35Å; R469-E829 WeakPolarHBondContact CG-O 3.28Å; R469-E829 IonicContact CZ-OE1 3.46Å; R469-E829 IonicContact CZ-OE2 3.47Å; R469-E829 VanDerWaalsContact CZ-OE2 3.27Å; R469-E829 IonicContact NE-OE1 3.74Å; R469-E829 IonicContact NE-OE2 2.68Å; R469-E829 PolarHBondContact NE-OE2 3.17Å; R469-E829 IonicContact NH2-OE1 3.13Å; R469-E829 PolarHBondContact NH2-OE1 3.02Å; R469-E829 IonicContact NH2-OE2 2.75Å; R469-E829 PolarHBondContact NH2-OE2 2.93Å; C825-E829 PolarHBondContact O-N 3.2Å; E829-I831 PolarHBondContact O-N 2.75Å
830	D	86.7	Confident	90.2	Very high	63 Å²	63	48.1 Å²	48.1	34%	0.337	22%	0.215	S	C	.	.	S	Bend	trans	-79.3	107.5	172.1	176.9	8.2	0	0	0	110	W832 K833 A834	D830-W832 PolarHBondContact O-N 3.45Å; D830-W832 WeakPolarHBondContact OD1-CA 3.44Å; D830-W832 WeakPolarHBondContact OD1-CB 3.3Å; D830-W832 PolarHBondContact OD1-N 2.77Å; D830-K833 HydrophobicContact CB-CB 3.89Å; D830-K833 PolarHBondContact O-N 3.17Å; D830-K833 VanDerWaalsContact O-N 3.08Å; D830-K833 PolarHBondContact OD1-N 2.84Å; D830-K833 WeakPolarHBondContact OD2-CB 3.09Å; D830-K833 PolarHBondContact OD2-N 3.23Å; D830-A834 WeakPolarHBondContact O-CB 3.41Å; D830-A834 PolarHBondContact O-N 2.86Å
831	I	88.6	Confident	90.7	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-25.9	-178.6	-45.4	-53.5	0	0	0	111.8	L471 V807 E829 S835 L849 F850 I853	L471-I831 HydrophobicContact CD2-CG1 4.15Å; V807-I831 HydrophobicContact CG1-CD1 3.87Å; E829-I831 PolarHBondContact O-N 2.75Å; I831-S835 WeakPolarHBondContact O-CB 3.45Å; I831-S835 PolarHBondContact O-N 3.08Å; I831-S835 PolarHBondContact O-OG 3.37Å; I831-L849 HydrophobicContact CD1-CB 4.41Å; I831-L849 HydrophobicContact CD1-CD1 3.88Å; I831-L849 HydrophobicContact CG1-CB 4.36Å; I831-L849 HydrophobicContact CG1-CD1 4.49Å; I831-L849 HydrophobicContact CG2-CB 4.15Å; I831-F850 HydrophobicContact CG2-CD1 3.75Å; I831-F850 HydrophobicContact CG2-CE1 3.65Å; I831-I853 HydrophobicContact CB-CG2 4.1Å; I831-I853 HydrophobicContact CG2-CD1 3.88Å; I831-I853 HydrophobicContact CG2-CG1 4.09Å; I831-I853 HydrophobicContact CG2-CG2 4.09Å
832	W	87.8	Confident	90.9	Very high	113 Å²	113	46.6 Å²	46.6	43%	0.428	20%	0.203	S	C	.	.	H	α-helix	trans	-76.7	-24.4	173.4	-69.8	108.6	0	0	0	113.4	P472 D830 S835 R836 I853	P472-W832 HydrophobicContact CG-CZ2 4.1Å; D830-W832 PolarHBondContact O-N 3.45Å; D830-W832 WeakPolarHBondContact OD1-CA 3.44Å; D830-W832 WeakPolarHBondContact OD1-CB 3.3Å; D830-W832 PolarHBondContact OD1-N 2.77Å; W832-S835 PolarHBondContact O-OG 2.95Å; W832-R836 WeakPolarHBondContact O-CG 3.46Å; W832-R836 PolarHBondContact O-NE 2.99Å; W832-I853 HydrophobicContact CD2-CB 4.13Å; W832-I853 HydrophobicContact CD2-CD1 4.05Å; W832-I853 HydrophobicContact CD2-CG2 4.32Å; W832-I853 HydrophobicContact CE3-CB 4.42Å; W832-I853 HydrophobicContact CE3-CD1 3.9Å; W832-I853 HydrophobicContact CH2-CB 4.17Å; W832-I853 WeakPolarHBondContact CH2-O 3.16Å; W832-I853 HydrophobicContact CZ2-CB 3.85Å; W832-I853 HydrophobicContact CZ2-CG2 4.37Å; W832-I853 HydrophobicContact CZ3-CB 4.43Å; W832-I853 HydrophobicContact CZ3-CD1 4.32Å
833	K	88	Confident	91.2	Very high	86 Å²	86	44.5 Å²	44.5	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-79.5	-49.9	168.1	-163.6	179.7	-178	-175.5	0	109.9	D827 D830 S835 R836 F837	D827-K833 HydrophobicContact CB-CD 4.09Å; D827-K833 WeakPolarHBondContact OD1-CE 3.45Å; D827-K833 IonicContact OD1-NZ 3.69Å; D827-K833 PolarHBondContact OD1-NZ 3Å; D827-K833 WeakPolarHBondContact OD2-CE 3.31Å; D827-K833 IonicContact OD2-NZ 3.83Å; D827-K833 PolarHBondContact OD2-NZ 3.05Å; D830-K833 HydrophobicContact CB-CB 3.89Å; D830-K833 PolarHBondContact O-N 3.17Å; D830-K833 VanDerWaalsContact O-N 3.08Å; D830-K833 PolarHBondContact OD1-N 2.84Å; D830-K833 WeakPolarHBondContact OD2-CB 3.09Å; D830-K833 PolarHBondContact OD2-N 3.23Å; K833-S835 PolarHBondContact O-N 3.04Å; K833-R836 WeakPolarHBondContact O-CB 3.35Å; K833-R836 PolarHBondContact O-N 3.22Å; K833-R836 VanDerWaalsContact O-N 3.09Å; K833-F837 HydrophobicContact CG-CE2 4.31Å; K833-F837 WeakPolarHBondContact O-CD2 3.32Å
834	A	91	Very high	91.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.6	-43.5	-179.3	0	0	0	0	0	113.3	V805 V807 D830 R836 F837 I840	V805-A834 HydrophobicContact CG1-CB 4.19Å; V805-A834 HydrophobicContact CG2-CB 4.2Å; V807-A834 HydrophobicContact CG2-CB 3.74Å; D830-A834 WeakPolarHBondContact O-CB 3.41Å; D830-A834 PolarHBondContact O-N 2.86Å; A834-R836 PolarHBondContact O-N 3.18Å; A834-F837 WeakPolarHBondContact O-CB 3.44Å; A834-F837 WeakPolarHBondContact O-CD2 3.14Å; A834-F837 PolarHBondContact O-N 2.69Å; A834-F837 VanDerWaalsContact O-N 3.12Å; A834-I840 WeakPolarHBondContact O-CD1 3.22Å
835	S	91.2	Very high	91.6	Very high	11 Å²	11	39.7 Å²	39.7	8%	0.077	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.9	179.2	52.7	0	0	0	0	114.7	I831 W832 K833 H859	I831-S835 WeakPolarHBondContact O-CB 3.45Å; I831-S835 PolarHBondContact O-N 3.08Å; I831-S835 PolarHBondContact O-OG 3.37Å; W832-S835 PolarHBondContact O-OG 2.95Å; K833-S835 PolarHBondContact O-N 3.04Å; S835-H859 PolarHBondContact O-CE1 3.33Å; S835-H859 PolarHBondContact O-NE2 3.25Å
836	R	91.2	Very high	91.7	Very high	182 Å²	182	39.5 Å²	39.5	69%	0.687	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-25.1	178.1	-55.6	177.1	-168.7	-151.9	-2.3	113	R775 W832 K833 A834	R775-R836 PolarHBondContact NH1-O 3.02Å; W832-R836 WeakPolarHBondContact O-CG 3.46Å; W832-R836 PolarHBondContact O-NE 2.99Å; K833-R836 WeakPolarHBondContact O-CB 3.35Å; K833-R836 PolarHBondContact O-N 3.22Å; K833-R836 VanDerWaalsContact O-N 3.09Å; A834-R836 PolarHBondContact O-N 3.18Å
837	F	94.5	Very high	92.2	Very high	18 Å²	18	31 Å²	31	8%	0.079	14%	0.135	C	C	.	.	S	Bend	trans	-63.1	159.1	-179	-73.7	-110.6	0	0	0	112.1	R775 A802 M804 V805 D827 K833 A834 I840	R775-F837 PolarHBondContact NH1-O 2.92Å; A802-F837 HydrophobicContact CB-CE1 4.45Å; A802-F837 WeakPolarHBondContact O-CD1 3.26Å; A802-F837 WeakPolarHBondContact O-CE1 3.38Å; M804-F837 VanDerWaalsContact C-CD1 3.48Å; M804-F837 WeakPolarHBondContact O-CE1 3.43Å; V805-F837 HydrophobicContact CB-CB 4.32Å; V805-F837 HydrophobicContact CB-CD1 3.63Å; V805-F837 HydrophobicContact CB-CD2 3.94Å; V805-F837 HydrophobicContact CB-CE1 3.78Å; V805-F837 HydrophobicContact CB-CE2 4.09Å; V805-F837 HydrophobicContact CB-CG 3.71Å; V805-F837 HydrophobicContact CB-CZ 4.03Å; V805-F837 HydrophobicContact CG1-CB 3.69Å; V805-F837 HydrophobicContact CG1-CD1 3.99Å; V805-F837 HydrophobicContact CG1-CD2 3.87Å; V805-F837 HydrophobicContact CG1-CE2 4.48Å; V805-F837 HydrophobicContact CG1-CG 3.59Å; V805-F837 HydrophobicContact CG2-CD2 4.43Å; V805-F837 HydrophobicContact CG2-CE1 4.49Å; V805-F837 HydrophobicContact CG2-CE2 4.25Å; V805-F837 HydrophobicContact CG2-CZ 4.29Å; D827-F837 HydrophobicContact CB-CE2 3.97Å; D827-F837 HydrophobicContact CB-CZ 3.63Å; K833-F837 HydrophobicContact CG-CE2 4.31Å; K833-F837 WeakPolarHBondContact O-CD2 3.32Å; A834-F837 WeakPolarHBondContact O-CB 3.44Å; A834-F837 WeakPolarHBondContact O-CD2 3.14Å; A834-F837 PolarHBondContact O-N 2.69Å; A834-F837 VanDerWaalsContact O-N 3.12Å; F837-I840 HydrophobicContact CB-CG1 4.34Å
838	R	94.4	Very high	92.5	Very high	63 Å²	63	28.6 Å²	28.6	24%	0.238	12%	0.122	C	C	.	.	S	Bend	trans	-91.1	-24.3	176.8	-74.6	-168.1	60.6	-145.6	-11.5	113.5	H768 L771 P772 S774 I776 T803	H768-R838 VanDerWaalsContact CE1-CZ 3.49Å; H768-R838 PolarHBondContact CE1-NH1 3.4Å; H768-R838 PolarHBondContact ND1-NH2 3.39Å; H768-R838 PolarHBondContact O-NH1 3.27Å; H768-R838 PolarHBondContact O-NH2 3.48Å; L771-R838 PolarHBondContact O-NH2 2.86Å; P772-R838 PolarHBondContact O-NE 3.3Å; P772-R838 VanDerWaalsContact O-NE 3.15Å; P772-R838 PolarHBondContact O-NH1 2.94Å; P772-R838 PolarHBondContact O-NH2 3.21Å; S774-R838 PolarHBondContact O-NE 2.98Å; S774-R838 PolarHBondContact O-NH2 3.35Å; S774-R838 PolarHBondContact OG-NH2 3.49Å; I776-R838 PolarHBondContact N-O 3.22Å; T803-R838 PolarHBondContact O-N 2.68Å
839	I	97.6	Very high	92.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.3	173.3	-55.4	175	0	0	0	108.7	V764 H768 I776 L793 L799 T803 M804 V805 I841	V764-I839 HydrophobicContact CG1-CD1 3.99Å; V764-I839 HydrophobicContact CG1-CG1 4.47Å; V764-I839 HydrophobicContact CG1-CG2 4.2Å; H768-I839 HydrophobicContact CB-CD1 4.16Å; I776-I839 HydrophobicContact CD1-CG1 4.34Å; I776-I839 WeakPolarHBondContact O-CA 3.26Å; L793-I839 HydrophobicContact CD1-CG2 4.47Å; L799-I839 HydrophobicContact CD1-CD1 3.73Å; L799-I839 HydrophobicContact CD2-CD1 3.82Å; L799-I839 HydrophobicContact CG-CD1 4.46Å; T803-I839 HydrophobicContact CG2-CD1 4.21Å; T803-I839 HydrophobicContact CG2-CG1 4.47Å; T803-I839 PolarHBondContact O-N 2.72Å; T803-I839 VanDerWaalsContact O-N 3.15Å; M804-I839 CarbonylContact C-O 3.07Å; M804-I839 VanDerWaalsContact CA-O 3.3Å; M804-I839 WeakPolarHBondContact CA-O 3.38Å; M804-I839 HydrophobicContact CB-CB 4.22Å; M804-I839 HydrophobicContact CG-CB 4.2Å; M804-I839 HydrophobicContact CG-CG2 4Å; M804-I839 HydrophobicContact SD-CG2 4.49Å; V805-I839 PolarHBondContact N-O 2.69Å; I839-I841 HydrophobicContact CG2-CG1 4.29Å
840	I	97.8	Very high	93	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.6	177.7	-56.3	-167.4	0	0	0	109.2	I776 L777 V778 V805 V807 A834 F837 F850 F860	I776-I840 PolarHBondContact O-N 2.69Å; L777-I840 HydrophobicContact CD1-CB 4.02Å; L777-I840 HydrophobicContact CD1-CG2 3.89Å; V778-I840 PolarHBondContact N-O 3Å; V805-I840 HydrophobicContact CG1-CB 4.22Å; V805-I840 HydrophobicContact CG1-CG1 3.86Å; V805-I840 HydrophobicContact CG1-CG2 4.21Å; V807-I840 HydrophobicContact CG2-CG2 3.99Å; A834-I840 WeakPolarHBondContact O-CD1 3.22Å; F837-I840 HydrophobicContact CB-CG1 4.34Å; I840-F850 HydrophobicContact CD1-CE1 4.1Å; I840-F850 HydrophobicContact CD1-CE2 4.39Å; I840-F850 HydrophobicContact CD1-CZ 3.7Å; I840-F850 HydrophobicContact CG2-CE2 3.95Å; I840-F850 HydrophobicContact CG2-CZ 3.73Å; I840-F860 HydrophobicContact CD1-CE1 3.69Å; I840-F860 HydrophobicContact CD1-CZ 3.87Å; I840-F860 HydrophobicContact CG1-CE1 4.26Å
841	I	97.7	Very high	93.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.9	179.7	-53.8	178.6	0	0	0	110	V778 A786 V789 C790 L793 M804 V805 R806 V807 I839	V778-I841 HydrophobicContact CB-CG1 4.38Å; V778-I841 WeakPolarHBondContact O-CA 3.34Å; A786-I841 HydrophobicContact CB-CG2 4.15Å; A786-I841 VanDerWaalsContact O-CG2 3.22Å; A786-I841 WeakPolarHBondContact O-CG2 3.49Å; V789-I841 HydrophobicContact CB-CG2 4.44Å; V789-I841 HydrophobicContact CG1-CD1 4.02Å; V789-I841 HydrophobicContact CG1-CG2 4.46Å; C790-I841 HydrophobicContact CB-CD1 3.8Å; C790-I841 HydrophobicContact CB-CG2 4.42Å; L793-I841 HydrophobicContact CD1-CD1 3.78Å; M804-I841 HydrophobicContact CG-CD1 3.93Å; M804-I841 HydrophobicContact CG-CG1 4.41Å; M804-I841 HydrophobicContact SD-CD1 3.48Å; M804-I841 WeakPolarHBondContact SD-CD1 3.35Å; V805-I841 PolarHBondContact O-N 3.35Å; R806-I841 CarbonylContact C-O 3.55Å; R806-I841 WeakPolarHBondContact CA-O 3.42Å; R806-I841 PolarHBondContact NH1-O 3.15Å; V807-I841 PolarHBondContact N-O 3.4Å; I839-I841 HydrophobicContact CG2-CG1 4.29Å
842	T	96.3	Very high	93	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	169.6	-171.9	-178.8	0	0	0	0	111.4	L777 V778 C779 A780 S846 S847	L777-T842 HydrophobicContact CD1-CG2 3.61Å; V778-T842 PolarHBondContact O-N 2.94Å; C779-T842 WeakPolarHBondContact CA-O 3.41Å; C779-T842 WeakPolarHBondContact SG-CG2 3.32Å; A780-T842 PolarHBondContact N-O 3.27Å; T842-S846 VanDerWaalsContact OG1-CB 3.23Å; T842-S846 WeakPolarHBondContact OG1-CB 3.39Å; T842-S847 PolarHBondContact OG1-N 2.62Å
843	T	95.5	Very high	92.9	Very high	8 Å²	8	20.4 Å²	20.4	5%	0.049	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	155	160.7	67.3	0	0	0	0	110.9	A780 N783 S845 S846 S847	A780-T843 CarbonylContact O-C 3.5Å; A780-T843 WeakPolarHBondContact O-CA 3.16Å; A780-T843 WeakPolarHBondContact O-CB 3.17Å; N783-T843 HydrophobicContact CB-CG2 4.32Å; N783-T843 VanDerWaalsContact OD1-CG2 3.28Å; N783-T843 WeakPolarHBondContact OD1-CG2 3.26Å; T843-S845 VanDerWaalsContact C-N 3.33Å; T843-S845 PolarHBondContact O-N 2.99Å; T843-S846 CarbonylContact O-C 3.45Å; T843-S846 WeakPolarHBondContact O-CA 3.2Å; T843-S846 PolarHBondContact O-N 3.29Å; T843-S846 VanDerWaalsContact OG1-CB 3.29Å; T843-S846 WeakPolarHBondContact OG1-CB 3.32Å; T843-S846 PolarHBondContact OG1-N 2.76Å; T843-S846 PolarHBondContact OG1-OG 2.87Å; T843-S847 PolarHBondContact O-N 2.98Å
844	C	96.5	Very high	92.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-52.6	-48.7	177.5	-64	0	0	0	0	111.6	A780 S846 S847 E875	A780-C844 PolarHBondContact O-N 3.18Å; C844-S846 VanDerWaalsContact C-N 3.31Å; C844-S846 PolarHBondContact O-N 3.33Å; C844-S847 PolarHBondContact O-N 2.8Å; C844-S847 PolarHBondContact O-OG 3.04Å; C844-E875 HydrophobicContact CB-CG 3.62Å
845	S	94.2	Very high	92.3	Very high	11 Å²	11	20 Å²	20	8%	0.077	10%	0.102	C	C	.	.	H	α-helix	trans	-68.7	-24.3	175.7	-161.7	0	0	0	0	114.2	R622 T843	R622-S845 WeakPolarHBondContact CD-O 3.3Å; R622-S845 PolarHBondContact NH1-O 3.23Å; T843-S845 VanDerWaalsContact C-N 3.33Å; T843-S845 PolarHBondContact O-N 2.99Å
846	S	93.2	Very high	91.8	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-82.9	-21.8	177.6	-58.5	0	0	0	0	113.4	A809 T842 T843 C844 G848 L849	A809-S846 WeakPolarHBondContact CA-OG 3.31Å; T842-S846 VanDerWaalsContact OG1-CB 3.23Å; T842-S846 WeakPolarHBondContact OG1-CB 3.39Å; T843-S846 CarbonylContact O-C 3.45Å; T843-S846 WeakPolarHBondContact O-CA 3.2Å; T843-S846 PolarHBondContact O-N 3.29Å; T843-S846 VanDerWaalsContact OG1-CB 3.29Å; T843-S846 WeakPolarHBondContact OG1-CB 3.32Å; T843-S846 PolarHBondContact OG1-N 2.76Å; T843-S846 PolarHBondContact OG1-OG 2.87Å; C844-S846 VanDerWaalsContact C-N 3.31Å; C844-S846 PolarHBondContact O-N 3.33Å; S846-G848 PolarHBondContact O-N 3.44Å; S846-G848 VanDerWaalsContact O-N 3.15Å; S846-L849 VanDerWaalsContact O-CB 3.29Å; S846-L849 WeakPolarHBondContact O-CB 3.5Å; S846-L849 WeakPolarHBondContact O-CD1 3.47Å; S846-L849 VanDerWaalsContact O-CG 3.26Å; S846-L849 WeakPolarHBondContact O-CG 3.44Å; S846-L849 PolarHBondContact O-N 3.49Å
847	S	95.1	Very high	91.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.5	-24.9	173.3	73.5	0	0	0	0	112.2	T842 T843 C844 L849 F850 I878 P879	T842-S847 PolarHBondContact OG1-N 2.62Å; T843-S847 PolarHBondContact O-N 2.98Å; C844-S847 PolarHBondContact O-N 2.8Å; C844-S847 PolarHBondContact O-OG 3.04Å; S847-L849 PolarHBondContact O-N 3.3Å; S847-F850 WeakPolarHBondContact O-CB 3.39Å; S847-F850 WeakPolarHBondContact O-CD2 3.44Å; S847-F850 PolarHBondContact O-N 2.72Å; S847-I878 WeakPolarHBondContact OG-CG2 3.38Å; S847-P879 WeakPolarHBondContact OG-CA 3.4Å; S847-P879 WeakPolarHBondContact OG-CD 3.47Å
848	G	92.6	Very high	91.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.4	174.2	0	0	0	0	0	114.9	S846 F850 Y851	S846-G848 PolarHBondContact O-N 3.44Å; S846-G848 VanDerWaalsContact O-N 3.15Å; G848-F850 PolarHBondContact O-N 2.97Å; G848-Y851 PolarHBondContact O-N 3.49Å
849	L	91.2	Very high	91.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-27.4	167.3	-70.7	165.5	0	0	0	112.7	L471 V807 I831 S846 S847 Q852 I853	L471-L849 HydrophobicContact CD1-CD2 3.62Å; L471-L849 HydrophobicContact CD2-CD2 4.18Å; V807-L849 HydrophobicContact CG1-CD1 3.96Å; I831-L849 HydrophobicContact CD1-CB 4.41Å; I831-L849 HydrophobicContact CD1-CD1 3.88Å; I831-L849 HydrophobicContact CG1-CB 4.36Å; I831-L849 HydrophobicContact CG1-CD1 4.49Å; I831-L849 HydrophobicContact CG2-CB 4.15Å; S846-L849 VanDerWaalsContact O-CB 3.29Å; S846-L849 WeakPolarHBondContact O-CB 3.5Å; S846-L849 WeakPolarHBondContact O-CD1 3.47Å; S846-L849 VanDerWaalsContact O-CG 3.26Å; S846-L849 WeakPolarHBondContact O-CG 3.44Å; S846-L849 PolarHBondContact O-N 3.49Å; S847-L849 PolarHBondContact O-N 3.3Å; L849-Q852 WeakPolarHBondContact O-CB 3.35Å; L849-Q852 PolarHBondContact O-N 3.29Å; L849-Q852 VanDerWaalsContact O-N 3.1Å; L849-I853 PolarHBondContact O-N 2.68Å
850	F	92.6	Very high	91	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-71.3	-34.3	-179.4	-66.7	-58.6	0	0	0	113.1	L777 V807 I831 I840 S847 G848 Q852 I853 G854 V855 F860 L882	L777-F850 HydrophobicContact CD1-CE2 4.15Å; V807-F850 HydrophobicContact CG2-CZ 4.25Å; I831-F850 HydrophobicContact CG2-CD1 3.75Å; I831-F850 HydrophobicContact CG2-CE1 3.65Å; I840-F850 HydrophobicContact CD1-CE1 4.1Å; I840-F850 HydrophobicContact CD1-CE2 4.39Å; I840-F850 HydrophobicContact CD1-CZ 3.7Å; I840-F850 HydrophobicContact CG2-CE2 3.95Å; I840-F850 HydrophobicContact CG2-CZ 3.73Å; S847-F850 WeakPolarHBondContact O-CB 3.39Å; S847-F850 WeakPolarHBondContact O-CD2 3.44Å; S847-F850 PolarHBondContact O-N 2.72Å; G848-F850 PolarHBondContact O-N 2.97Å; F850-Q852 PolarHBondContact O-N 3.31Å; F850-I853 HydrophobicContact CD1-CD1 4.41Å; F850-I853 WeakPolarHBondContact O-CG1 3.45Å; F850-I853 PolarHBondContact O-N 2.89Å; F850-G854 PolarHBondContact O-N 3.12Å; F850-V855 HydrophobicContact CB-CB 4.07Å; F850-V855 HydrophobicContact CB-CG2 3.86Å; F850-V855 HydrophobicContact CD1-CG2 4Å; F850-V855 HydrophobicContact CG-CG2 4.35Å; F850-V855 WeakPolarHBondContact O-CB 3.31Å; F850-V855 WeakPolarHBondContact O-CG2 3.31Å; F850-V855 PolarHBondContact O-N 2.96Å; F850-F860 HydrophobicContact CB-CE2 4.48Å; F850-F860 HydrophobicContact CD1-CZ 4.47Å; F850-F860 HydrophobicContact CD2-CE2 4.14Å; F850-F860 HydrophobicContact CD2-CZ 4.05Å; F850-F860 HydrophobicContact CE2-CZ 4.19Å; F850-F860 HydrophobicContact CG-CE2 4.21Å; F850-F860 HydrophobicContact CG-CZ 4.23Å; F850-F860 HydrophobicContact CZ-CZ 4.47Å; F850-L882 HydrophobicContact CB-CD1 4Å; F850-L882 HydrophobicContact CB-CD2 4Å; F850-L882 HydrophobicContact CD2-CD1 4.19Å
851	Y	89.1	Confident	90.9	Very high	17 Å²	17	26.3 Å²	26.3	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-35.6	167.2	-56.9	-69	0	0	0	111.7	S473 F625 H629 G848 I853 G854 I878 G881 L882	S473-Y851 PolarHBondContact OG-O 2.85Å; F625-Y851 HydrophobicContact CD1-CD1 4.38Å; F625-Y851 AromaticContact CD1-CD2 3.85Å; F625-Y851 HydrophobicContact CD1-CD2 3.85Å; F625-Y851 HydrophobicContact CD1-CE2 4.3Å; F625-Y851 AromaticContact CD1-CG 3.93Å; F625-Y851 HydrophobicContact CD1-CG 3.93Å; F625-Y851 VanDerWaalsContact CE1-CB 3.48Å; F625-Y851 AromaticContact CE1-CD1 3.65Å; F625-Y851 HydrophobicContact CE1-CD1 3.65Å; F625-Y851 AromaticContact CE1-CD2 3.84Å; F625-Y851 HydrophobicContact CE1-CD2 3.84Å; F625-Y851 HydrophobicContact CE1-CE1 4.28Å; F625-Y851 HydrophobicContact CE1-CE2 4.49Å; F625-Y851 AromaticContact CE1-CG 3.4Å; F625-Y851 HydrophobicContact CE1-CG 3.4Å; F625-Y851 VanDerWaalsContact CE1-CG 3.4Å; F625-Y851 HydrophobicContact CZ-CG 4.43Å; H629-Y851 HydrophobicContact CB-CE1 4.43Å; G848-Y851 PolarHBondContact O-N 3.49Å; Y851-I853 VanDerWaalsContact C-N 3.3Å; Y851-I853 PolarHBondContact O-N 3.21Å; Y851-G854 PolarHBondContact O-N 3.43Å; Y851-I878 HydrophobicContact CE2-CG2 4.04Å; Y851-I878 WeakPolarHBondContact CE2-O 3.46Å; Y851-I878 PolarHBondContact OH-O 2.84Å; Y851-G881 WeakPolarHBondContact OH-CA 3.3Å; Y851-G881 PolarHBondContact OH-O 2.77Å; Y851-L882 HydrophobicContact CD1-CD2 3.52Å; Y851-L882 HydrophobicContact CD2-CD2 4.25Å; Y851-L882 HydrophobicContact CE1-CD2 3.34Å; Y851-L882 HydrophobicContact CE1-CG 3.92Å; Y851-L882 HydrophobicContact CE2-CD2 4.06Å; Y851-L882 HydrophobicContact CE2-CG 4.21Å; Y851-L882 HydrophobicContact CG-CD2 3.98Å; Y851-L882 PolarHBondContact OH-N 3.42Å
852	Q	85.2	Confident	90.9	Very high	20 Å²	20	26.4 Å²	26.4	9%	0.093	15%	0.147	C	C	.	.	H	α-helix	trans	-71.9	-19.5	-176.1	-62.9	-166.9	-108	0	0	114.2	L471 P472 S473 L475 L849 F850	L471-Q852 HydrophobicContact CB-CB 4.33Å; L471-Q852 HydrophobicContact CD1-CB 4.26Å; L471-Q852 HydrophobicContact CD2-CB 4.13Å; L471-Q852 HydrophobicContact CG-CB 4.47Å; P472-Q852 WeakPolarHBondContact CD-O 3.47Å; P472-Q852 WeakPolarHBondContact CG-O 3.32Å; S473-Q852 PolarHBondContact N-O 3.01Å; S473-Q852 PolarHBondContact O-NE2 3.09Å; S473-Q852 VanDerWaalsContact OG-CA 3.31Å; S473-Q852 WeakPolarHBondContact OG-CA 3.39Å; S473-Q852 PolarHBondContact OG-O 3.3Å; L475-Q852 HydrophobicContact CD2-CG 4.1Å; L475-Q852 HydrophobicContact CG-CG 4.06Å; L849-Q852 WeakPolarHBondContact O-CB 3.35Å; L849-Q852 PolarHBondContact O-N 3.29Å; L849-Q852 VanDerWaalsContact O-N 3.1Å; F850-Q852 PolarHBondContact O-N 3.31Å
853	I	85.7	Confident	91	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.036	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	5.4	167.9	64.8	155.9	0	0	0	113.1	L471 I831 W832 L849 F850 Y851 V855	L471-I853 HydrophobicContact CD2-CG2 3.76Å; I831-I853 HydrophobicContact CB-CG2 4.1Å; I831-I853 HydrophobicContact CG2-CD1 3.88Å; I831-I853 HydrophobicContact CG2-CG1 4.09Å; I831-I853 HydrophobicContact CG2-CG2 4.09Å; W832-I853 HydrophobicContact CD2-CB 4.13Å; W832-I853 HydrophobicContact CD2-CD1 4.05Å; W832-I853 HydrophobicContact CD2-CG2 4.32Å; W832-I853 HydrophobicContact CE3-CB 4.42Å; W832-I853 HydrophobicContact CE3-CD1 3.9Å; W832-I853 HydrophobicContact CH2-CB 4.17Å; W832-I853 WeakPolarHBondContact CH2-O 3.16Å; W832-I853 HydrophobicContact CZ2-CB 3.85Å; W832-I853 HydrophobicContact CZ2-CG2 4.37Å; W832-I853 HydrophobicContact CZ3-CB 4.43Å; W832-I853 HydrophobicContact CZ3-CD1 4.32Å; L849-I853 PolarHBondContact O-N 2.68Å; F850-I853 HydrophobicContact CD1-CD1 4.41Å; F850-I853 WeakPolarHBondContact O-CG1 3.45Å; F850-I853 PolarHBondContact O-N 2.89Å; Y851-I853 VanDerWaalsContact C-N 3.3Å; Y851-I853 PolarHBondContact O-N 3.21Å; I853-V855 HydrophobicContact CD1-CG2 3.77Å; I853-V855 HydrophobicContact CG1-CG2 3.84Å
854	G	82.1	Confident	91.2	Very high	55 Å²	55	26.1 Å²	26.1	57%	0.567	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	30.2	178.4	0	0	0	0	0	115.1	F850 Y851 R856	F850-G854 PolarHBondContact O-N 3.12Å; Y851-G854 PolarHBondContact O-N 3.43Å; G854-R856 PolarHBondContact O-N 3.45Å
855	V	85.3	Confident	91.2	Very high	22 Å²	22	26.1 Å²	26.1	13%	0.133	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-57.2	128.1	168.6	174.7	0	0	0	0	109.3	F850 I853 H859 F860	F850-V855 HydrophobicContact CB-CB 4.07Å; F850-V855 HydrophobicContact CB-CG2 3.86Å; F850-V855 HydrophobicContact CD1-CG2 4Å; F850-V855 HydrophobicContact CG-CG2 4.35Å; F850-V855 WeakPolarHBondContact O-CB 3.31Å; F850-V855 WeakPolarHBondContact O-CG2 3.31Å; F850-V855 PolarHBondContact O-N 2.96Å; I853-V855 HydrophobicContact CD1-CG2 3.77Å; I853-V855 HydrophobicContact CG1-CG2 3.84Å; V855-H859 HydrophobicContact CG1-CB 3.3Å; V855-H859 VanDerWaalsContact CG1-CG 3.5Å; V855-F860 HydrophobicContact CG1-CE2 4.28Å
856	R	80.7	Confident	91.4	Very high	216 Å²	216	25.7 Å²	25.7	82%	0.815	14%	0.141	S	C	*	.	P	Polyproline II helix	trans	-72.8	145.3	178.6	-63.1	-177.8	-177	177.7	0.9	110.8	G854 G858 H859	G854-R856 PolarHBondContact O-N 3.45Å; R856-G858 PolarHBondContact O-N 3.15Å; R856-H859 VanDerWaalsContact O-CB 3.27Å; R856-H859 WeakPolarHBondContact O-CB 3.4Å; R856-H859 PolarHBondContact O-N 3.38Å
857	V	86.1	Confident	91.5	Very high	71 Å²	71	26.8 Å²	26.8	43%	0.43	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	129.9	167.8	178.6	0	0	0	0	109.2	H632 M883	H632-V857 VanDerWaalsContact NE2-CG1 3.34Å; H632-V857 WeakPolarHBondContact NE2-CG1 3.28Å; V857-M883 WeakPolarHBondContact CG1-O 3.19Å
858	G	87.4	Confident	91.6	Very high	28 Å²	28	26.8 Å²	26.8	29%	0.289	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	1.2	-176	0	0	0	0	0	115.6	R856 F860 L882	R856-G858 PolarHBondContact O-N 3.15Å; G858-F860 PolarHBondContact O-N 2.95Å; G858-L882 PolarHBondContact N-O 3.16Å
859	H	91.5	Very high	91.7	Very high	55 Å²	55	27 Å²	27	26%	0.255	15%	0.148	S	C	.	.	S	Bend	trans	-61.1	-32.8	167.4	178	92.2	0	0	0	112.1	R775 S835 V855 R856	R775-H859 WeakPolarHBondContact CB-O 3.4Å; R775-H859 WeakPolarHBondContact CD-O 3.36Å; S835-H859 PolarHBondContact O-CE1 3.33Å; S835-H859 PolarHBondContact O-NE2 3.25Å; V855-H859 HydrophobicContact CG1-CB 3.3Å; V855-H859 VanDerWaalsContact CG1-CG 3.5Å; R856-H859 VanDerWaalsContact O-CB 3.27Å; R856-H859 WeakPolarHBondContact O-CB 3.4Å; R856-H859 PolarHBondContact O-N 3.38Å
860	F	95.9	Very high	91.8	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-95.4	133.9	169.4	-60.3	-73.1	0	0	0	109.7	R775 L777 I840 F850 V855 G858 L882 M883	R775-F860 HydrophobicContact CB-CD1 4.38Å; L777-F860 HydrophobicContact CB-CB 4.39Å; L777-F860 HydrophobicContact CB-CD1 3.6Å; L777-F860 HydrophobicContact CB-CD2 4.45Å; L777-F860 HydrophobicContact CB-CE1 3.92Å; L777-F860 HydrophobicContact CB-CG 3.88Å; L777-F860 HydrophobicContact CB-CZ 4.47Å; L777-F860 HydrophobicContact CD1-CE1 4.44Å; L777-F860 HydrophobicContact CD1-CZ 4.43Å; L777-F860 HydrophobicContact CD2-CD2 3.96Å; L777-F860 HydrophobicContact CD2-CE2 3.99Å; L777-F860 HydrophobicContact CD2-CG 4.22Å; L777-F860 HydrophobicContact CD2-CZ 4.28Å; I840-F860 HydrophobicContact CD1-CE1 3.69Å; I840-F860 HydrophobicContact CD1-CZ 3.87Å; I840-F860 HydrophobicContact CG1-CE1 4.26Å; F850-F860 HydrophobicContact CB-CE2 4.48Å; F850-F860 HydrophobicContact CD1-CZ 4.47Å; F850-F860 HydrophobicContact CD2-CE2 4.14Å; F850-F860 HydrophobicContact CD2-CZ 4.05Å; F850-F860 HydrophobicContact CE2-CZ 4.19Å; F850-F860 HydrophobicContact CG-CE2 4.21Å; F850-F860 HydrophobicContact CG-CZ 4.23Å; F850-F860 HydrophobicContact CZ-CZ 4.47Å; V855-F860 HydrophobicContact CG1-CE2 4.28Å; G858-F860 PolarHBondContact O-N 2.95Å; F860-L882 HydrophobicContact CD2-CB 3.79Å; F860-L882 HydrophobicContact CD2-CD1 4.27Å; F860-L882 HydrophobicContact CE2-CB 4.29Å; F860-L882 HydrophobicContact CE2-CD1 4.03Å; F860-M883 HydrophobicContact CB-SD 3.61Å; F860-M883 VanDerWaalsContact O-SD 3.34Å
861	T	95.5	Very high	92	Very high	35 Å²	35	28.7 Å²	28.7	22%	0.215	16%	0.156	C	C	.	.	S	Bend	trans	-101.6	-20.7	178.4	55.2	0	0	0	0	112	S774 R775 M883 G888 Q889	S774-T861 WeakPolarHBondContact CA-OG1 3.28Å; R775-T861 PolarHBondContact N-OG1 3.17Å; R775-T861 PolarHBondContact O-N 3.42Å; R775-T861 PolarHBondContact O-OG1 2.9Å; T861-M883 VanDerWaalsContact O-CE 3.22Å; T861-M883 WeakPolarHBondContact O-CE 3.48Å; T861-G888 WeakPolarHBondContact O-CA 3.49Å; T861-Q889 PolarHBondContact O-N 3.19Å
862	H	97.9	Very high	92.3	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	124.9	177.1	-54	73.1	0	0	0	109.9	Q649 V767 R775 I776 L777 F864 Q889	Q649-H862 PolarHBondContact NE2-NE2 2.92Å; V767-H862 HydrophobicContact CG1-CB 4.38Å; V767-H862 VanDerWaalsContact CG1-CD2 3.45Å; V767-H862 WeakPolarHBondContact CG1-CD2 3.31Å; R775-H862 PolarHBondContact O-N 3.33Å; I776-H862 WeakPolarHBondContact CA-O 3.45Å; I776-H862 HydrophobicContact CG1-CB 4.35Å; I776-H862 HydrophobicContact CG2-CB 4.38Å; L777-H862 PolarHBondContact N-O 2.82Å; H862-F864 HydrophobicContact CB-CD2 4.49Å; H862-F864 HydrophobicContact CB-CE2 4.01Å; H862-Q889 WeakPolarHBondContact CA-O 3.47Å; H862-Q889 PolarHBondContact CD2-OE1 3.11Å
863	V	98	Very high	92.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.7	169.4	151.9	0	0	0	0	109.6	L777 V865 P879 L880 M883 Q889 I890 V891	L777-V863 HydrophobicContact CB-CG2 3.78Å; L777-V863 HydrophobicContact CD2-CG2 3.87Å; L777-V863 HydrophobicContact CG-CG2 4.07Å; L777-V863 WeakPolarHBondContact O-CA 3.42Å; V863-V865 HydrophobicContact CG1-CG2 4.01Å; V863-P879 HydrophobicContact CG1-CB 4.34Å; V863-P879 HydrophobicContact CG2-CB 4.45Å; V863-L880 HydrophobicContact CG1-CD1 3.67Å; V863-L880 HydrophobicContact CG1-CG 4.46Å; V863-M883 HydrophobicContact CB-CE 4.47Å; V863-M883 HydrophobicContact CB-CG 3.92Å; V863-M883 HydrophobicContact CB-SD 3.72Å; V863-M883 HydrophobicContact CG2-CG 3.63Å; V863-M883 HydrophobicContact CG2-SD 3.35Å; V863-M883 WeakPolarHBondContact CG2-SD 3.25Å; V863-Q889 PolarHBondContact N-O 2.72Å; V863-I890 CarbonylContact O-C 3.6Å; V863-V891 PolarHBondContact O-N 3.11Å
864	F	98.5	Very high	93.5	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.1	171.6	-69.7	-103.3	0	0	0	108.5	I736 I760 A763 V764 I776 L777 V778 C779 H862 V891	I736-F864 HydrophobicContact CD1-CE1 4.42Å; I736-F864 HydrophobicContact CG2-CE1 4.03Å; I736-F864 HydrophobicContact CG2-CZ 3.83Å; I760-F864 HydrophobicContact CG2-CD1 4.03Å; A763-F864 HydrophobicContact CB-CE1 3.82Å; A763-F864 HydrophobicContact CB-CZ 4.19Å; V764-F864 HydrophobicContact CG2-CD1 4.21Å; V764-F864 HydrophobicContact CG2-CD2 3.97Å; V764-F864 HydrophobicContact CG2-CE1 4.15Å; V764-F864 HydrophobicContact CG2-CE2 3.92Å; V764-F864 HydrophobicContact CG2-CG 4.12Å; V764-F864 HydrophobicContact CG2-CZ 4.01Å; I776-F864 HydrophobicContact CG2-CD2 3.62Å; I776-F864 HydrophobicContact CG2-CE2 3.72Å; L777-F864 PolarHBondContact O-N 3.38Å; V778-F864 CarbonylContact C-O 3.56Å; V778-F864 WeakPolarHBondContact CA-O 3.43Å; V778-F864 HydrophobicContact CB-CB 4.43Å; V778-F864 HydrophobicContact CG1-CB 3.99Å; V778-F864 HydrophobicContact CG2-CB 4.28Å; C779-F864 PolarHBondContact N-O 2.81Å; H862-F864 HydrophobicContact CB-CD2 4.49Å; H862-F864 HydrophobicContact CB-CE2 4.01Å; F864-V891 CarbonylContact C-O 3.56Å; F864-V891 WeakPolarHBondContact CA-O 3.5Å; F864-V891 HydrophobicContact CD1-CB 3.63Å; F864-V891 HydrophobicContact CD1-CG1 3.69Å; F864-V891 HydrophobicContact CD1-CG2 4.08Å; F864-V891 HydrophobicContact CE1-CB 3.92Å; F864-V891 HydrophobicContact CE1-CG1 3.93Å; F864-V891 HydrophobicContact CE1-CG2 3.86Å; F864-V891 HydrophobicContact CG-CB 4.15Å; F864-V891 HydrophobicContact CZ-CG2 4.22Å
865	V	98.2	Very high	94.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.2	171.2	-171.6	0	0	0	0	108.3	C779 V863 A868 P879 L880 V891 L892 A893	C779-V865 HydrophobicContact CB-CG2 4.44Å; C779-V865 CarbonylContact O-C 3.5Å; C779-V865 WeakPolarHBondContact O-CA 3.26Å; V863-V865 HydrophobicContact CG1-CG2 4.01Å; V865-A868 HydrophobicContact CB-CB 4.01Å; V865-A868 HydrophobicContact CG1-CB 3.72Å; V865-P879 HydrophobicContact CG2-CG 4.39Å; V865-L880 HydrophobicContact CG2-CD1 3.89Å; V865-V891 PolarHBondContact N-O 3.02Å; V865-L892 HydrophobicContact CB-CD2 3.88Å; V865-L892 HydrophobicContact CG2-CD2 3.83Å; V865-A893 PolarHBondContact O-N 2.81Å
866	D	97.1	Very high	94.8	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.011	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	150.8	169	-158.9	2.9	0	0	0	110.2	K756 T757 I760 C779 P781 A868 A893	K756-D866 WeakPolarHBondContact CE-OD1 3.28Å; T757-D866 PolarHBondContact OG1-OD2 2.7Å; I760-D866 HydrophobicContact CD1-CB 3.58Å; I760-D866 WeakPolarHBondContact CD1-OD1 3.27Å; I760-D866 WeakPolarHBondContact CD1-OD2 3.37Å; C779-D866 PolarHBondContact O-N 3Å; P781-D866 VanDerWaalsContact CD-O 3.3Å; P781-D866 WeakPolarHBondContact CD-O 3.45Å; D866-A868 PolarHBondContact O-N 3.13Å; D866-A893 CarbonylContact C-O 3.59Å
867	E	95.6	Very high	95.6	Very high	28 Å²	28	15.2 Å²	15.2	13%	0.131	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	36.6	-171.2	-67.3	-61.7	160.9	0	0	113.4	K756 P781 G869 Q870 A893	K756-E867 WeakPolarHBondContact CE-OE1 3.45Å; K756-E867 IonicContact NZ-OE1 2.71Å; K756-E867 PolarHBondContact NZ-OE1 3.46Å; K756-E867 IonicContact NZ-OE2 2.73Å; P781-E867 HydrophobicContact CG-CB 4.38Å; E867-G869 PolarHBondContact O-N 3.08Å; E867-Q870 HydrophobicContact CB-CG 4.04Å; E867-Q870 WeakPolarHBondContact O-CG 3.39Å; E867-Q870 PolarHBondContact O-N 2.89Å; E867-Q870 PolarHBondContact OE2-NE2 3.24Å; E867-A893 PolarHBondContact N-O 3.11Å
868	A	96.9	Very high	96.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-14.4	179.1	0	0	0	0	0	114.4	V865 D866 Q870 L892 A893 L918	V865-A868 HydrophobicContact CB-CB 4.01Å; V865-A868 HydrophobicContact CG1-CB 3.72Å; D866-A868 PolarHBondContact O-N 3.13Å; A868-Q870 VanDerWaalsContact C-N 3.3Å; A868-L892 HydrophobicContact CB-CB 4.06Å; A868-L892 HydrophobicContact CB-CD2 4.27Å; A868-A893 WeakPolarHBondContact CB-O 3.39Å; A868-A893 PolarHBondContact N-O 3.31Å; A868-L918 HydrophobicContact CB-CB 4.35Å
869	G	94.9	Very high	96.6	Very high	3 Å²	3	10.5 Å²	10.5	3%	0.031	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.9	171.7	0	0	0	0	0	113.8	E867 G900 S916	E867-G869 PolarHBondContact O-N 3.08Å; G869-G900 WeakPolarHBondContact O-CA 3.42Å; G869-S916 WeakPolarHBondContact CA-OG 3.41Å; G869-S916 WeakPolarHBondContact O-CB 3.44Å; G869-S916 PolarHBondContact O-OG 3.09Å
870	Q	93.5	Very high	96.8	Very high	37 Å²	37	7.9 Å²	7.9	17%	0.173	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-26.1	-175.7	-38.9	-176.4	11	0	0	112.8	P781 E867 A868 P901 Q1077	P781-Q870 HydrophobicContact CG-CB 3.95Å; E867-Q870 HydrophobicContact CB-CG 4.04Å; E867-Q870 WeakPolarHBondContact O-CG 3.39Å; E867-Q870 PolarHBondContact O-N 2.89Å; E867-Q870 PolarHBondContact OE2-NE2 3.24Å; A868-Q870 VanDerWaalsContact C-N 3.3Å; Q870-P901 VanDerWaalsContact O-CA 3.3Å; Q870-P901 WeakPolarHBondContact O-CA 3.24Å; Q870-Q1077 VanDerWaalsContact CG-NE2 3.28Å
871	A	95.8	Very high	96.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-66.8	133.7	176.1	0	0	0	0	0	110.2	P781 E875 C876 P901 S916	P781-A871 HydrophobicContact CB-CB 4.06Å; P781-A871 HydrophobicContact CG-CB 4.26Å; A871-E875 HydrophobicContact CB-CG 4.48Å; A871-C876 HydrophobicContact CB-CB 4.14Å; A871-P901 WeakPolarHBondContact O-CG 3.48Å; A871-S916 VanDerWaalsContact O-CB 3.24Å; A871-S916 WeakPolarHBondContact O-CB 3.35Å
872	S	97	Very high	96.5	Very high	14 Å²	14	6.2 Å²	6.2	10%	0.098	3%	0.031	C	C	.	.			trans	-59.5	149.8	170.2	68.5	0	0	0	0	109.7	E875 C876 P901	S872-E875 PolarHBondContact N-OE2 3.5Å; S872-E875 WeakPolarHBondContact O-CB 3.46Å; S872-E875 PolarHBondContact O-N 2.79Å; S872-E875 WeakPolarHBondContact OG-CB 3.47Å; S872-E875 PolarHBondContact OG-N 2.7Å; S872-C876 PolarHBondContact O-N 2.72Å; S872-P901 VanDerWaalsContact CA-CG 3.49Å
873	E	97.7	Very high	96.3	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.009	3%	0.031	C	C	.	.	H	α-helix	trans	-53.7	-53.2	-177.6	171.4	161.1	170.8	0	0	112	Y510 F514 E875 C876 L877 F917 R920	Y510-E873 VanDerWaalsContact CE2-OE1 3.25Å; Y510-E873 WeakPolarHBondContact CE2-OE1 3.4Å; Y510-E873 VanDerWaalsContact CZ-OE1 3.32Å; Y510-E873 PolarHBondContact OH-OE1 2.84Å; F514-E873 HydrophobicContact CE1-CB 4.09Å; F514-E873 HydrophobicContact CE1-CG 4.34Å; F514-E873 HydrophobicContact CE2-CG 4.04Å; F514-E873 HydrophobicContact CZ-CB 3.92Å; F514-E873 VanDerWaalsContact CZ-CD 3.4Å; F514-E873 HydrophobicContact CZ-CG 3.76Å; E873-E875 VanDerWaalsContact C-N 3.27Å; E873-E875 PolarHBondContact O-N 2.94Å; E873-C876 WeakPolarHBondContact O-CB 3.24Å; E873-C876 PolarHBondContact O-N 2.69Å; E873-L877 WeakPolarHBondContact O-CG 3.39Å; E873-L877 PolarHBondContact O-N 3.28Å; E873-L877 VanDerWaalsContact O-N 3.15Å; E873-F917 HydrophobicContact CB-CB 4.16Å; E873-F917 HydrophobicContact CG-CB 3.97Å; E873-F917 HydrophobicContact CG-CD2 4.08Å; E873-F917 HydrophobicContact CG-CG 4.39Å; E873-R920 VanDerWaalsContact CD-NE 3.28Å; E873-R920 IonicContact OE1-CZ 3.42Å; E873-R920 VanDerWaalsContact OE1-CZ 3.24Å; E873-R920 IonicContact OE1-NE 3.71Å; E873-R920 PolarHBondContact OE1-NE 3.13Å; E873-R920 IonicContact OE1-NH2 2.83Å; E873-R920 PolarHBondContact OE1-NH2 3.21Å; E873-R920 WeakPolarHBondContact OE2-CD 3.34Å; E873-R920 IonicContact OE2-CZ 3.28Å; E873-R920 IonicContact OE2-NE 2.78Å; E873-R920 PolarHBondContact OE2-NE 3.39Å; E873-R920 IonicContact OE2-NH2 3.19Å
874	P	97.9	Very high	95.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.2	-30.9	176.1	-27.4	37.7	0	0	0	115.3	F514 L518 C623 L627 L913	F514-P874 HydrophobicContact CB-CG 3.92Å; F514-P874 HydrophobicContact CD1-CG 3.58Å; F514-P874 HydrophobicContact CE1-CG 4.27Å; F514-P874 HydrophobicContact CG-CG 3.86Å; L518-P874 HydrophobicContact CD1-CB 4.13Å; L518-P874 HydrophobicContact CD1-CG 4.42Å; L518-P874 HydrophobicContact CD2-CB 4.34Å; L518-P874 HydrophobicContact CD2-CG 4.44Å; L518-P874 HydrophobicContact CG-CG 4.45Å; C623-P874 HydrophobicContact CB-CB 3.81Å; L627-P874 HydrophobicContact CD1-CB 4.15Å; L627-P874 HydrophobicContact CD1-CG 4.25Å; L627-P874 HydrophobicContact CD2-CB 4.31Å; L627-P874 HydrophobicContact CD2-CG 4.31Å; L627-P874 HydrophobicContact CG-CB 4.18Å; P874-L913 HydrophobicContact CG-CD1 4.19Å
875	E	97.6	Very high	95.2	Very high	38 Å²	38	9 Å²	9	18%	0.178	5%	0.048	C	C	.	.	H	α-helix	trans	-72.1	-39.8	175.5	173.3	-178.6	-151.4	0	0	111.9	C844 A871 S872 E873 L877 I878	C844-E875 HydrophobicContact CB-CG 3.62Å; A871-E875 HydrophobicContact CB-CG 4.48Å; S872-E875 PolarHBondContact N-OE2 3.5Å; S872-E875 WeakPolarHBondContact O-CB 3.46Å; S872-E875 PolarHBondContact O-N 2.79Å; S872-E875 WeakPolarHBondContact OG-CB 3.47Å; S872-E875 PolarHBondContact OG-N 2.7Å; E873-E875 VanDerWaalsContact C-N 3.27Å; E873-E875 PolarHBondContact O-N 2.94Å; E875-L877 PolarHBondContact O-N 2.85Å; E875-I878 HydrophobicContact CB-CD1 4.49Å; E875-I878 HydrophobicContact CG-CD1 4.41Å; E875-I878 WeakPolarHBondContact O-CB 3.33Å; E875-I878 WeakPolarHBondContact O-CG1 3.42Å; E875-I878 PolarHBondContact O-N 3.08Å
876	C	97.6	Very high	94.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.2	-32.1	175.2	-163.1	0	0	0	0	111	A871 S872 E873 I878 P879 L880 F917	A871-C876 HydrophobicContact CB-CB 4.14Å; S872-C876 PolarHBondContact O-N 2.72Å; E873-C876 WeakPolarHBondContact O-CB 3.24Å; E873-C876 PolarHBondContact O-N 2.69Å; C876-I878 VanDerWaalsContact C-N 3.29Å; C876-I878 PolarHBondContact O-N 2.98Å; C876-P879 VanDerWaalsContact O-CD 3.3Å; C876-P879 WeakPolarHBondContact O-CD 3.32Å; C876-P879 WeakPolarHBondContact O-CG 3.4Å; C876-L880 VanDerWaalsContact O-CD1 3.29Å; C876-L880 WeakPolarHBondContact O-CD1 3.42Å; C876-F917 HydrophobicContact CB-CB 4.06Å
877	L	97	Very high	94	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.5	-22.4	176.9	-52.4	-174.9	0	0	0	114.1	Y510 A626 L627 V630 L638 E873 E875 L880 G881 F917	Y510-L877 HydrophobicContact CE1-CD1 3.65Å; Y510-L877 WeakPolarHBondContact OH-CD1 3.3Å; A626-L877 HydrophobicContact CB-CB 4.19Å; L627-L877 HydrophobicContact CD2-CD1 3.85Å; V630-L877 HydrophobicContact CB-CB 4.37Å; V630-L877 HydrophobicContact CB-CD1 4.23Å; V630-L877 HydrophobicContact CG1-CD1 3.73Å; V630-L877 HydrophobicContact CG2-CB 4.03Å; V630-L877 HydrophobicContact CG2-CD1 4.05Å; V630-L877 HydrophobicContact CG2-CD2 4.17Å; V630-L877 HydrophobicContact CG2-CG 4.26Å; L638-L877 HydrophobicContact CD2-CD2 3.82Å; E873-L877 WeakPolarHBondContact O-CG 3.39Å; E873-L877 PolarHBondContact O-N 3.28Å; E873-L877 VanDerWaalsContact O-N 3.15Å; E875-L877 PolarHBondContact O-N 2.85Å; L877-L880 PolarHBondContact O-N 3.16Å; L877-G881 PolarHBondContact O-N 3.32Å; L877-F917 HydrophobicContact CD2-CD2 4.45Å; L877-F917 HydrophobicContact CD2-CE2 4.48Å
878	I	96.7	Very high	93.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-56.9	-52.9	-175.3	-54.4	169.9	0	0	0	111.6	R622 A626 S847 Y851 E875 C876	R622-I878 HydrophobicContact CB-CD1 3.97Å; A626-I878 HydrophobicContact CB-CB 4.25Å; A626-I878 HydrophobicContact CB-CG1 3.74Å; S847-I878 WeakPolarHBondContact OG-CG2 3.38Å; Y851-I878 HydrophobicContact CE2-CG2 4.04Å; Y851-I878 WeakPolarHBondContact CE2-O 3.46Å; Y851-I878 PolarHBondContact OH-O 2.84Å; E875-I878 HydrophobicContact CB-CD1 4.49Å; E875-I878 HydrophobicContact CG-CD1 4.41Å; E875-I878 WeakPolarHBondContact O-CB 3.33Å; E875-I878 WeakPolarHBondContact O-CG1 3.42Å; E875-I878 PolarHBondContact O-N 3.08Å; C876-I878 VanDerWaalsContact C-N 3.29Å; C876-I878 PolarHBondContact O-N 2.98Å
879	P	96.9	Very high	93.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-71.3	-33.5	173	27	-34.9	0	0	0	113.9	L777 C779 S847 V863 V865 C876 G881 L882	L777-P879 HydrophobicContact CD2-CB 3.91Å; C779-P879 HydrophobicContact CB-CB 4.31Å; C779-P879 HydrophobicContact CB-CG 4.08Å; C779-P879 WeakPolarHBondContact SG-CB 3.42Å; S847-P879 WeakPolarHBondContact OG-CA 3.4Å; S847-P879 WeakPolarHBondContact OG-CD 3.47Å; V863-P879 HydrophobicContact CG1-CB 4.34Å; V863-P879 HydrophobicContact CG2-CB 4.45Å; V865-P879 HydrophobicContact CG2-CG 4.39Å; C876-P879 VanDerWaalsContact O-CD 3.3Å; C876-P879 WeakPolarHBondContact O-CD 3.32Å; C876-P879 WeakPolarHBondContact O-CG 3.4Å; P879-G881 PolarHBondContact O-N 2.94Å; P879-L882 PolarHBondContact O-N 3.05Å
880	L	96	Very high	94	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-40.4	-178.2	-92.5	66.9	0	0	0	111.6	L633 V637 V863 V865 C876 L877 L882 M883 I890 L892 F917	L633-L880 HydrophobicContact CD1-CB 4.06Å; V637-L880 HydrophobicContact CG1-CD2 4.39Å; V863-L880 HydrophobicContact CG1-CD1 3.67Å; V863-L880 HydrophobicContact CG1-CG 4.46Å; V865-L880 HydrophobicContact CG2-CD1 3.89Å; C876-L880 VanDerWaalsContact O-CD1 3.29Å; C876-L880 WeakPolarHBondContact O-CD1 3.42Å; L877-L880 PolarHBondContact O-N 3.16Å; L880-L882 PolarHBondContact O-N 2.95Å; L880-M883 VanDerWaalsContact O-CB 3.24Å; L880-M883 WeakPolarHBondContact O-CB 3.25Å; L880-M883 WeakPolarHBondContact O-CG 3.35Å; L880-M883 PolarHBondContact O-N 2.68Å; L880-I890 HydrophobicContact CD1-CG2 4.11Å; L880-I890 HydrophobicContact CD2-CD1 3.94Å; L880-I890 HydrophobicContact CD2-CG2 3.92Å; L880-I890 HydrophobicContact CG-CD1 3.87Å; L880-I890 HydrophobicContact CG-CG1 4.13Å; L880-I890 HydrophobicContact CG-CG2 3.95Å; L880-L892 HydrophobicContact CD1-CD2 4.34Å; L880-F917 HydrophobicContact CD2-CD1 4.11Å; L880-F917 HydrophobicContact CD2-CE1 3.48Å; L880-F917 VanDerWaalsContact CD2-CE1 3.48Å; L880-F917 HydrophobicContact CD2-CZ 4.29Å
881	G	93.5	Very high	94.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	1.6	178.7	0	0	0	0	0	115.9	H632 Y851 L877 P879	H632-G881 PolarHBondContact CE1-O 3.47Å; Y851-G881 WeakPolarHBondContact OH-CA 3.3Å; Y851-G881 PolarHBondContact OH-O 2.77Å; L877-G881 PolarHBondContact O-N 3.32Å; P879-G881 PolarHBondContact O-N 2.94Å
882	L	93.1	Very high	94.3	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-6.5	170.6	-60	163.4	0	0	0	112.6	L777 F850 Y851 G858 F860 P879 L880	L777-L882 HydrophobicContact CD2-CD1 3.77Å; F850-L882 HydrophobicContact CB-CD1 4Å; F850-L882 HydrophobicContact CB-CD2 4Å; F850-L882 HydrophobicContact CD2-CD1 4.19Å; Y851-L882 HydrophobicContact CD1-CD2 3.52Å; Y851-L882 HydrophobicContact CD2-CD2 4.25Å; Y851-L882 HydrophobicContact CE1-CD2 3.34Å; Y851-L882 HydrophobicContact CE1-CG 3.92Å; Y851-L882 HydrophobicContact CE2-CD2 4.06Å; Y851-L882 HydrophobicContact CE2-CG 4.21Å; Y851-L882 HydrophobicContact CG-CD2 3.98Å; Y851-L882 PolarHBondContact OH-N 3.42Å; G858-L882 PolarHBondContact N-O 3.16Å; F860-L882 HydrophobicContact CD2-CB 3.79Å; F860-L882 HydrophobicContact CD2-CD1 4.27Å; F860-L882 HydrophobicContact CE2-CB 4.29Å; F860-L882 HydrophobicContact CE2-CD1 4.03Å; P879-L882 PolarHBondContact O-N 3.05Å; L880-L882 PolarHBondContact O-N 2.95Å
883	M	92.6	Very high	94.4	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-91.8	156.1	-175.3	-63.4	-69.5	-61.3	0	0	112.8	H632 V857 F860 T861 V863 L880 G888 Q889	H632-M883 PolarHBondContact NE2-O 3.43Å; H632-M883 VanDerWaalsContact NE2-O 3.12Å; V857-M883 WeakPolarHBondContact CG1-O 3.19Å; F860-M883 HydrophobicContact CB-SD 3.61Å; F860-M883 VanDerWaalsContact O-SD 3.34Å; T861-M883 VanDerWaalsContact O-CE 3.22Å; T861-M883 WeakPolarHBondContact O-CE 3.48Å; V863-M883 HydrophobicContact CB-CE 4.47Å; V863-M883 HydrophobicContact CB-CG 3.92Å; V863-M883 HydrophobicContact CB-SD 3.72Å; V863-M883 HydrophobicContact CG2-CG 3.63Å; V863-M883 HydrophobicContact CG2-SD 3.35Å; V863-M883 WeakPolarHBondContact CG2-SD 3.25Å; L880-M883 VanDerWaalsContact O-CB 3.24Å; L880-M883 WeakPolarHBondContact O-CB 3.25Å; L880-M883 WeakPolarHBondContact O-CG 3.35Å; L880-M883 PolarHBondContact O-N 2.68Å; M883-G888 VanDerWaalsContact CE-CA 3.45Å; M883-Q889 VanDerWaalsContact CE-N 3.3Å; M883-Q889 WeakPolarHBondContact CE-O 2.9Å
884	S	89.2	Confident	94.3	Very high	22 Å²	22	12.4 Å²	12.4	15%	0.154	7%	0.071	C	C	.	.			trans	-77.5	140.1	166.3	173.4	0	0	0	0	111.6	I886 S887 G888	S884-I886 PolarHBondContact O-N 3.02Å; S884-I886 PolarHBondContact OG-N 2.91Å; S884-I886 VanDerWaalsContact OG-N 3.1Å; S884-S887 PolarHBondContact OG-N 2.7Å; S884-G888 WeakPolarHBondContact O-CA 3.46Å; S884-G888 PolarHBondContact O-N 2.94Å
885	D	84	Confident	94.2	Very high	40 Å²	40	12.5 Å²	12.5	21%	0.214	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.1	171.2	72.4	-65.3	0	0	0	114.3	L633 P743	L633-D885 HydrophobicContact CD2-CB 4.27Å; P743-D885 WeakPolarHBondContact CD-O 3.41Å; P743-D885 WeakPolarHBondContact CG-O 3.26Å
886	I	85.2	Confident	94.1	Very high	89 Å²	89	11 Å²	11	46%	0.456	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-59.6	-177.8	-55.6	179.9	0	0	0	110.3	Q646 S884	Q646-I886 PolarHBondContact NE2-O 3.42Å; S884-I886 PolarHBondContact O-N 3.02Å; S884-I886 PolarHBondContact OG-N 2.91Å; S884-I886 VanDerWaalsContact OG-N 3.1Å
887	S	86.3	Confident	93.9	Very high	58 Å²	58	14.4 Å²	14.4	41%	0.406	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-20.1	-172	58.8	0	0	0	0	114	R742 S884	R742-S887 PolarHBondContact NH1-O 3.17Å; S884-S887 PolarHBondContact OG-N 2.7Å
888	G	92.8	Very high	93.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.01	8%	0.083	C	C	.	.			trans	-71.8	143.8	-171.7	0	0	0	0	0	113.8	P743 T861 M883 S884	P743-G888 WeakPolarHBondContact CA-O 3.49Å; T861-G888 WeakPolarHBondContact O-CA 3.49Å; M883-G888 VanDerWaalsContact CE-CA 3.45Å; S884-G888 WeakPolarHBondContact O-CA 3.46Å; S884-G888 PolarHBondContact O-N 2.94Å
889	Q	96.4	Very high	93.3	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.028	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.7	171.6	-163.6	176.2	25.1	0	0	112.2	I736 R742 T861 H862 V863 M883 V891	I736-Q889 PolarHBondContact O-NE2 2.83Å; I736-Q889 PolarHBondContact O-OE1 2.93Å; I736-Q889 VanDerWaalsContact O-OE1 3.11Å; R742-Q889 HydrophobicContact CG-CB 3.87Å; R742-Q889 HydrophobicContact CG-CG 3.89Å; T861-Q889 PolarHBondContact O-N 3.19Å; H862-Q889 WeakPolarHBondContact CA-O 3.47Å; H862-Q889 PolarHBondContact CD2-OE1 3.11Å; V863-Q889 PolarHBondContact N-O 2.72Å; M883-Q889 VanDerWaalsContact CE-N 3.3Å; M883-Q889 WeakPolarHBondContact CE-O 2.9Å; Q889-V891 HydrophobicContact CG-CG2 4.32Å
890	I	97.3	Very high	93.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.7	174.1	-62.9	165.5	0	0	0	108	V637 P745 Y746 V863 L880 L892	V637-I890 HydrophobicContact CG1-CD1 3.53Å; V637-I890 HydrophobicContact CG2-CD1 4.13Å; P745-I890 WeakPolarHBondContact CA-O 3.44Å; P745-I890 HydrophobicContact CB-CB 4.36Å; P745-I890 HydrophobicContact CB-CG2 3.86Å; P745-I890 HydrophobicContact CG-CB 4.38Å; P745-I890 HydrophobicContact CG-CG2 4.03Å; Y746-I890 PolarHBondContact N-O 2.75Å; V863-I890 CarbonylContact O-C 3.6Å; L880-I890 HydrophobicContact CD1-CG2 4.11Å; L880-I890 HydrophobicContact CD2-CD1 3.94Å; L880-I890 HydrophobicContact CD2-CG2 3.92Å; L880-I890 HydrophobicContact CG-CD1 3.87Å; L880-I890 HydrophobicContact CG-CG1 4.13Å; L880-I890 HydrophobicContact CG-CG2 3.95Å; I890-L892 HydrophobicContact CG2-CD2 3.96Å; I890-L892 HydrophobicContact CG2-CG 4.09Å
891	V	98.2	Very high	92.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.5	175.6	-179.5	0	0	0	0	108.8	I736 Y746 V863 F864 V865 Q889	I736-V891 HydrophobicContact CD1-CG1 3.89Å; I736-V891 HydrophobicContact CD1-CG2 4.41Å; I736-V891 HydrophobicContact CG1-CG1 4.29Å; I736-V891 HydrophobicContact CG1-CG2 4.03Å; I736-V891 HydrophobicContact CG2-CG2 3.96Å; Y746-V891 HydrophobicContact CD1-CG1 4.46Å; Y746-V891 CarbonylContact O-C 3.59Å; Y746-V891 WeakPolarHBondContact O-CA 3.36Å; V863-V891 PolarHBondContact O-N 3.11Å; F864-V891 CarbonylContact C-O 3.56Å; F864-V891 WeakPolarHBondContact CA-O 3.5Å; F864-V891 HydrophobicContact CD1-CB 3.63Å; F864-V891 HydrophobicContact CD1-CG1 3.69Å; F864-V891 HydrophobicContact CD1-CG2 4.08Å; F864-V891 HydrophobicContact CE1-CB 3.92Å; F864-V891 HydrophobicContact CE1-CG1 3.93Å; F864-V891 HydrophobicContact CE1-CG2 3.86Å; F864-V891 HydrophobicContact CG-CB 4.15Å; F864-V891 HydrophobicContact CZ-CG2 4.22Å; V865-V891 PolarHBondContact N-O 3.02Å; Q889-V891 HydrophobicContact CG-CG2 4.32Å
892	L	98.4	Very high	92.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.2	177.7	-56.4	179.2	0	0	0	109.1	P745 Y746 I747 L748 V865 A868 L880 I890 F917 L918 L921	P745-L892 HydrophobicContact CB-CD1 3.78Å; P745-L892 HydrophobicContact CB-CG 4.09Å; Y746-L892 PolarHBondContact O-N 3.13Å; I747-L892 WeakPolarHBondContact CA-O 3.48Å; I747-L892 HydrophobicContact CG1-CB 4.44Å; L748-L892 PolarHBondContact N-O 2.97Å; V865-L892 HydrophobicContact CB-CD2 3.88Å; V865-L892 HydrophobicContact CG2-CD2 3.83Å; A868-L892 HydrophobicContact CB-CB 4.06Å; A868-L892 HydrophobicContact CB-CD2 4.27Å; L880-L892 HydrophobicContact CD1-CD2 4.34Å; I890-L892 HydrophobicContact CG2-CD2 3.96Å; I890-L892 HydrophobicContact CG2-CG 4.09Å; L892-F917 HydrophobicContact CD1-CD1 3.66Å; L892-F917 HydrophobicContact CD1-CE1 3.84Å; L892-L918 HydrophobicContact CB-CD1 3.99Å; L892-L921 HydrophobicContact CD1-CD1 3.58Å
893	A	98	Very high	92.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.7	175.9	0	0	0	0	0	110.3	L748 K756 I760 V865 D866 E867 A868	L748-A893 HydrophobicContact CB-CB 3.95Å; L748-A893 HydrophobicContact CD2-CB 4.03Å; L748-A893 HydrophobicContact CG-CB 4.36Å; L748-A893 WeakPolarHBondContact O-CA 3.33Å; K756-A893 HydrophobicContact CD-CB 4.4Å; I760-A893 HydrophobicContact CD1-CB 3.36Å; I760-A893 HydrophobicContact CG1-CB 3.91Å; V865-A893 PolarHBondContact O-N 2.81Å; D866-A893 CarbonylContact C-O 3.59Å; E867-A893 PolarHBondContact N-O 3.11Å; A868-A893 WeakPolarHBondContact CB-O 3.39Å; A868-A893 PolarHBondContact N-O 3.31Å
894	G	96.2	Very high	92.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-162.8	-176.6	0	0	0	0	0	113.1	L748 G750	L748-G894 PolarHBondContact O-N 2.98Å; L748-G894 VanDerWaalsContact O-N 3.12Å; G750-G894 PolarHBondContact N-O 3.45Å
895	D	95.8	Very high	92.3	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	14%	0.144	C	C	.	.			trans	-145.1	110.9	180	-176.8	-10	0	0	0	109.6	F749 P751 P752 M897 Q898 Y967	F749-D895 WeakPolarHBondContact CE2-OD1 3.32Å; P751-D895 WeakPolarHBondContact CA-OD2 3.29Å; P752-D895 WeakPolarHBondContact CD-OD2 3.12Å; D895-M897 PolarHBondContact O-N 3.01Å; D895-M897 WeakPolarHBondContact OD1-CA 3.38Å; D895-M897 WeakPolarHBondContact OD1-CB 3.5Å; D895-M897 PolarHBondContact OD1-N 2.97Å; D895-Q898 HydrophobicContact CB-CB 4.22Å; D895-Q898 HydrophobicContact CB-CG 4.25Å; D895-Q898 PolarHBondContact O-N 3.42Å; D895-Q898 WeakPolarHBondContact OD2-CG 3.39Å; D895-Q898 PolarHBondContact OD2-NE2 2.9Å; D895-Y967 PolarHBondContact OD2-OH 3.49Å
896	P	94.8	Very high	92.6	Very high	6 Å²	6	34 Å²	34	4%	0.039	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.4	178.6	31.3	-37.6	0	0	0	112.8	F749 E919 M922 K1110	F749-P896 HydrophobicContact CE2-CG 4.32Å; F749-P896 HydrophobicContact CZ-CG 4.31Å; P896-E919 HydrophobicContact CB-CB 4.29Å; P896-M922 HydrophobicContact CB-CG 4.47Å; P896-M922 HydrophobicContact CG-CG 4.16Å; P896-K1110 PolarHBondContact O-NZ 3.16Å
897	M	93.6	Very high	92.9	Very high	72 Å²	72	32.6 Å²	32.6	36%	0.355	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.6	179.9	-56.6	-59.8	167	0	0	113.1	F749 D895 F966 Y967 N1113	F749-M897 HydrophobicContact CZ-CG 4.45Å; D895-M897 PolarHBondContact O-N 3.01Å; D895-M897 WeakPolarHBondContact OD1-CA 3.38Å; D895-M897 WeakPolarHBondContact OD1-CB 3.5Å; D895-M897 PolarHBondContact OD1-N 2.97Å; M897-F966 HydrophobicContact CB-CB 4.16Å; M897-F966 HydrophobicContact CB-CD1 4.36Å; M897-F966 HydrophobicContact CG-CB 4.36Å; M897-Y967 HydrophobicContact CB-CE1 4.09Å; M897-Y967 HydrophobicContact CG-CE1 4.35Å; M897-N1113 VanDerWaalsContact C-ND2 3.32Å; M897-N1113 WeakPolarHBondContact CB-ND2 3.47Å; M897-N1113 PolarHBondContact O-ND2 3.19Å
898	Q	91.8	Very high	93.3	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.037	15%	0.145	C	C	.	.	S	Bend	trans	-89.3	-178.5	170.8	-78.5	-178.7	82.8	0	0	111.4	D895 G900 K1110 V1114	D895-Q898 HydrophobicContact CB-CB 4.22Å; D895-Q898 HydrophobicContact CB-CG 4.25Å; D895-Q898 PolarHBondContact O-N 3.42Å; D895-Q898 WeakPolarHBondContact OD2-CG 3.39Å; D895-Q898 PolarHBondContact OD2-NE2 2.9Å; Q898-G900 PolarHBondContact O-N 3.1Å; Q898-K1110 WeakPolarHBondContact O-CD 3.35Å; Q898-V1114 HydrophobicContact CB-CG2 3.75Å; Q898-V1114 HydrophobicContact CG-CG2 3.75Å
899	L	89.7	Confident	93.2	Very high	16 Å²	16	33 Å²	33	8%	0.084	16%	0.161	C	C	.	.			trans	-58.8	128.9	-179.2	-97.1	174.6	0	0	0	111.7	V1073 E1074 Q1077 R1111 V1114	L899-V1073 HydrophobicContact CD1-CB 4.42Å; L899-V1073 HydrophobicContact CD1-CG1 3.82Å; L899-E1074 HydrophobicContact CD1-CG 4Å; L899-Q1077 PolarHBondContact O-NE2 3.39Å; L899-R1111 HydrophobicContact CD1-CG 4.44Å; L899-R1111 HydrophobicContact CD2-CG 3.63Å; L899-R1111 HydrophobicContact CG-CG 4.15Å; L899-V1114 HydrophobicContact CB-CG2 4.08Å; L899-V1114 HydrophobicContact CD1-CG2 4.48Å; L899-V1114 HydrophobicContact CG-CG2 4.13Å
900	G	91.9	Very high	92.9	Very high	12 Å²	12	36.4 Å²	36.4	12%	0.124	19%	0.19	C	C	.	.			trans	-81.3	-166.5	172.7	0	0	0	0	0	113.6	G869 Q898	G869-G900 WeakPolarHBondContact O-CA 3.42Å; Q898-G900 PolarHBondContact O-N 3.1Å
901	P	92.7	Very high	92.7	Very high	11 Å²	11	39 Å²	39	7%	0.071	20%	0.2	C	C	.	.			trans	-58.3	138.9	-178.9	-22.3	32.7	0	0	0	113.7	Q870 A871 S872 I903 N914	Q870-P901 VanDerWaalsContact O-CA 3.3Å; Q870-P901 WeakPolarHBondContact O-CA 3.24Å; A871-P901 WeakPolarHBondContact O-CG 3.48Å; S872-P901 VanDerWaalsContact CA-CG 3.49Å; P901-I903 HydrophobicContact CB-CD1 4Å; P901-I903 HydrophobicContact CB-CG1 4.18Å; P901-I903 PolarHBondContact O-N 2.96Å; P901-N914 WeakPolarHBondContact CD-O 3.38Å
902	V	87.1	Confident	92.5	Very high	106 Å²	106	40 Å²	40	64%	0.642	21%	0.211	S	C	*	.			trans	-81.8	85.4	178.1	-175.5	0	0	0	0	109.8
903	I	91.1	Very high	92.4	Very high	22 Å²	22	40.1 Å²	40.1	11%	0.113	21%	0.212	C	C	.	.			trans	-96.4	131.4	175.7	-52.1	-49.9	0	0	0	109.2	E521 P901 A908 M909 L913 N914	E521-I903 WeakPolarHBondContact OE2-CG2 3.45Å; P901-I903 HydrophobicContact CB-CD1 4Å; P901-I903 HydrophobicContact CB-CG1 4.18Å; P901-I903 PolarHBondContact O-N 2.96Å; I903-A908 HydrophobicContact CG2-CB 3.79Å; I903-M909 HydrophobicContact CB-CG 3.81Å; I903-M909 HydrophobicContact CG2-CG 3.77Å; I903-M909 VanDerWaalsContact O-CE 3.28Å; I903-M909 WeakPolarHBondContact O-CE 3.43Å; I903-L913 HydrophobicContact CD1-CB 4.43Å; I903-L913 HydrophobicContact CD1-CD2 3.82Å; I903-L913 HydrophobicContact CD1-CG 3.75Å; I903-L913 HydrophobicContact CG1-CB 4.19Å; I903-L913 HydrophobicContact CG1-CD2 4.35Å; I903-L913 HydrophobicContact CG1-CG 4.07Å; I903-L913 HydrophobicContact CG2-CB 4.37Å; I903-L913 HydrophobicContact CG2-CD2 4.17Å; I903-N914 HydrophobicContact CB-CB 4.38Å; I903-N914 HydrophobicContact CG1-CB 3.99Å
904	K	87.1	Confident	92.2	Very high	84 Å²	84	42.9 Å²	42.9	37%	0.365	23%	0.226	S	C	.	.			trans	-95.3	-35.6	-179	-57	178.9	178.6	179.7	0	112.7	E521 Y524 E528 R906 M909	E521-K904 WeakPolarHBondContact OE1-CB 3.22Å; E521-K904 PolarHBondContact OE1-N 2.82Å; E521-K904 PolarHBondContact OE2-N 3.43Å; E521-K904 VanDerWaalsContact OE2-N 3.15Å; Y524-K904 HydrophobicContact CD1-CB 3.53Å; Y524-K904 HydrophobicContact CD1-CD 4.35Å; Y524-K904 HydrophobicContact CE1-CB 3.45Å; Y524-K904 VanDerWaalsContact CE1-CB 3.45Å; Y524-K904 HydrophobicContact CE1-CD 4.18Å; Y524-K904 HydrophobicContact CE1-CG 4.46Å; E528-K904 VanDerWaalsContact OE2-CD 3.31Å; E528-K904 WeakPolarHBondContact OE2-CD 3.22Å; E528-K904 WeakPolarHBondContact OE2-CE 3.5Å; E528-K904 IonicContact OE2-NZ 2.62Å; E528-K904 PolarHBondContact OE2-NZ 2.89Å; K904-R906 PolarHBondContact O-N 3.24Å; K904-M909 WeakPolarHBondContact O-CE 3.43Å
905	S	90.9	Very high	92.1	Very high	6 Å²	6	45 Å²	45	4%	0.042	24%	0.239	C	C	.	.			trans	-68.7	119.3	-178.7	-177.1	0	0	0	0	111.1	L520 E521 L907 A908 M909	L520-S905 WeakPolarHBondContact O-CB 3.33Å; L520-S905 PolarHBondContact O-OG 2.79Å; E521-S905 WeakPolarHBondContact OE2-CA 3.21Å; E521-S905 WeakPolarHBondContact OE2-CB 3.37Å; E521-S905 PolarHBondContact OE2-N 3.48Å; S905-L907 PolarHBondContact O-N 2.62Å; S905-A908 PolarHBondContact O-N 3.45Å; S905-M909 PolarHBondContact O-N 3.03Å
906	R	88.7	Confident	92.2	Very high	211 Å²	211	44.9 Å²	44.9	80%	0.796	24%	0.238	S	C	*	.	H	α-helix	trans	-61.8	-31	178.2	-65.6	-177.5	-178.1	175.3	0.5	112.6	K904 M909 A910	K904-R906 PolarHBondContact O-N 3.24Å; R906-M909 HydrophobicContact CG-CE 4.44Å; R906-A910 VanDerWaalsContact O-CB 3.27Å; R906-A910 WeakPolarHBondContact O-CB 3.5Å; R906-A910 PolarHBondContact O-N 2.8Å
907	L	91.7	Very high	92.3	Very high	58 Å²	58	44.6 Å²	44.6	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-71.8	-48.3	175.3	-61.7	177.5	0	0	0	110.5	V488 I494 L520 S905 M909 A910 Y911	V488-L907 HydrophobicContact CG2-CD1 4.21Å; I494-L907 HydrophobicContact CG2-CD2 4.3Å; L520-L907 HydrophobicContact CD1-CB 4.12Å; L520-L907 HydrophobicContact CD2-CB 4.31Å; L520-L907 HydrophobicContact CD2-CD1 3.95Å; S905-L907 PolarHBondContact O-N 2.62Å; L907-M909 VanDerWaalsContact C-N 3.29Å; L907-M909 PolarHBondContact O-N 3.01Å; L907-A910 PolarHBondContact O-N 3.32Å; L907-A910 VanDerWaalsContact O-N 3.13Å; L907-Y911 WeakPolarHBondContact O-CD2 3.48Å; L907-Y911 PolarHBondContact O-N 3.19Å; L907-Y911 VanDerWaalsContact O-N 3.16Å
908	A	94.5	Very high	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-37.1	178.1	0	0	0	0	0	112.4	L517 L520 I903 S905 G912 L913	L517-A908 HydrophobicContact CD2-CB 4.49Å; L520-A908 HydrophobicContact CB-CB 4.21Å; I903-A908 HydrophobicContact CG2-CB 3.79Å; S905-A908 PolarHBondContact O-N 3.45Å; A908-G912 PolarHBondContact O-N 2.78Å; A908-L913 HydrophobicContact CB-CB 4.05Å; A908-L913 HydrophobicContact CB-CD2 3.85Å; A908-L913 VanDerWaalsContact O-CB 3.3Å; A908-L913 WeakPolarHBondContact O-CB 3.27Å; A908-L913 PolarHBondContact O-N 3.19Å
909	M	91.5	Very high	92.8	Very high	69 Å²	69	43.2 Å²	43.2	34%	0.34	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-51.1	169.1	-75.4	-171.7	-93.1	0	0	112.6	I903 K904 S905 R906 L907 Y911 G912 N914	I903-M909 HydrophobicContact CB-CG 3.81Å; I903-M909 HydrophobicContact CG2-CG 3.77Å; I903-M909 VanDerWaalsContact O-CE 3.28Å; I903-M909 WeakPolarHBondContact O-CE 3.43Å; K904-M909 WeakPolarHBondContact O-CE 3.43Å; S905-M909 PolarHBondContact O-N 3.03Å; R906-M909 HydrophobicContact CG-CE 4.44Å; L907-M909 VanDerWaalsContact C-N 3.29Å; L907-M909 PolarHBondContact O-N 3.01Å; M909-Y911 PolarHBondContact O-N 2.89Å; M909-Y911 VanDerWaalsContact O-N 3.12Å; M909-G912 PolarHBondContact O-N 3.34Å; M909-N914 WeakPolarHBondContact CA-OD1 3.47Å; M909-N914 HydrophobicContact CG-CB 4.16Å; M909-N914 PolarHBondContact O-OD1 3.46Å
910	A	90.4	Very high	93.1	Very high	76 Å²	76	43.5 Å²	43.5	63%	0.628	23%	0.229	S	C	*	.	H	α-helix	trans	-58.4	-30.2	-176.1	0	0	0	0	0	113.7	R906 L907	R906-A910 VanDerWaalsContact O-CB 3.27Å; R906-A910 WeakPolarHBondContact O-CB 3.5Å; R906-A910 PolarHBondContact O-N 2.8Å; L907-A910 PolarHBondContact O-N 3.32Å; L907-A910 VanDerWaalsContact O-N 3.13Å
911	Y	93.6	Very high	93.3	Very high	55 Å²	55	43 Å²	43	22%	0.216	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	10.4	178.3	-60	-68.7	0	0	0	114.4	I494 L495 L501 L907 M909	I494-Y911 HydrophobicContact CG2-CE2 3.64Å; L495-Y911 HydrophobicContact CD2-CE1 3.81Å; L495-Y911 HydrophobicContact CG-CE1 4.49Å; L495-Y911 WeakPolarHBondContact CG-OH 3.34Å; L501-Y911 HydrophobicContact CB-CD1 3.83Å; L501-Y911 HydrophobicContact CB-CD2 4.27Å; L501-Y911 HydrophobicContact CB-CE1 4.12Å; L501-Y911 HydrophobicContact CB-CG 3.93Å; L501-Y911 HydrophobicContact CD1-CD2 3.94Å; L501-Y911 HydrophobicContact CD1-CE2 4.18Å; L501-Y911 HydrophobicContact CD1-CG 4.36Å; L501-Y911 HydrophobicContact CD2-CG 4.43Å; L501-Y911 HydrophobicContact CG-CG 4.48Å; L501-Y911 VanDerWaalsContact O-CD1 3.32Å; L501-Y911 WeakPolarHBondContact O-CD1 3.15Å; L907-Y911 WeakPolarHBondContact O-CD2 3.48Å; L907-Y911 PolarHBondContact O-N 3.19Å; L907-Y911 VanDerWaalsContact O-N 3.16Å; M909-Y911 PolarHBondContact O-N 2.89Å; M909-Y911 VanDerWaalsContact O-N 3.12Å
912	G	93	Very high	93.5	Very high	24 Å²	24	43.6 Å²	43.6	25%	0.247	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.3	8.5	159.4	0	0	0	0	0	118.4	A908 M909 N914 V915	A908-G912 PolarHBondContact O-N 2.78Å; M909-G912 PolarHBondContact O-N 3.34Å; G912-N914 PolarHBondContact O-N 3.43Å; G912-N914 VanDerWaalsContact O-N 3.16Å; G912-V915 WeakPolarHBondContact O-CB 3.43Å; G912-V915 PolarHBondContact O-N 2.85Å
913	L	96	Very high	93.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.5	179.7	-167.2	63.1	0	0	0	113.3	F514 L517 E521 P874 I903 A908 V915	F514-L913 HydrophobicContact CD1-CD1 4Å; F514-L913 HydrophobicContact CE1-CD1 4.26Å; L517-L913 HydrophobicContact CB-CB 4.13Å; L517-L913 HydrophobicContact CB-CD1 3.96Å; L517-L913 HydrophobicContact CB-CD2 4.13Å; L517-L913 HydrophobicContact CB-CG 4.28Å; L517-L913 HydrophobicContact CD1-CB 4.25Å; L517-L913 HydrophobicContact CD1-CD1 4.43Å; E521-L913 HydrophobicContact CB-CD2 4.19Å; P874-L913 HydrophobicContact CG-CD1 4.19Å; I903-L913 HydrophobicContact CD1-CB 4.43Å; I903-L913 HydrophobicContact CD1-CD2 3.82Å; I903-L913 HydrophobicContact CD1-CG 3.75Å; I903-L913 HydrophobicContact CG1-CB 4.19Å; I903-L913 HydrophobicContact CG1-CD2 4.35Å; I903-L913 HydrophobicContact CG1-CG 4.07Å; I903-L913 HydrophobicContact CG2-CB 4.37Å; I903-L913 HydrophobicContact CG2-CD2 4.17Å; A908-L913 HydrophobicContact CB-CB 4.05Å; A908-L913 HydrophobicContact CB-CD2 3.85Å; A908-L913 VanDerWaalsContact O-CB 3.3Å; A908-L913 WeakPolarHBondContact O-CB 3.27Å; A908-L913 PolarHBondContact O-N 3.19Å; L913-V915 PolarHBondContact O-N 3.01Å
914	N	93.3	Very high	93.9	Very high	59 Å²	59	43.2 Å²	43.2	32%	0.316	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	9.3	175	71	-83.9	0	0	0	113.9	P901 I903 M909 G912	P901-N914 WeakPolarHBondContact CD-O 3.38Å; I903-N914 HydrophobicContact CB-CB 4.38Å; I903-N914 HydrophobicContact CG1-CB 3.99Å; M909-N914 WeakPolarHBondContact CA-OD1 3.47Å; M909-N914 HydrophobicContact CG-CB 4.16Å; M909-N914 PolarHBondContact O-OD1 3.46Å; G912-N914 PolarHBondContact O-N 3.43Å; G912-N914 VanDerWaalsContact O-N 3.16Å
915	V	95.8	Very high	94.1	Very high	44 Å²	44	43.6 Å²	43.6	27%	0.267	23%	0.233	S	C	.	.	S	Bend	trans	-97.3	124.6	167.4	-178.3	0	0	0	0	106.8	G912 L913 E919 R920	G912-V915 WeakPolarHBondContact O-CB 3.43Å; G912-V915 PolarHBondContact O-N 2.85Å; L913-V915 PolarHBondContact O-N 3.01Å; V915-E919 HydrophobicContact CG1-CB 4.03Å; V915-E919 HydrophobicContact CG1-CG 3.85Å; V915-R920 HydrophobicContact CG1-CB 4.13Å
916	S	97.3	Very high	94.1	Very high	1 Å²	1	44 Å²	44	1%	0.007	24%	0.237	C	C	.	.			trans	-80.7	158.7	175.9	52.8	0	0	0	0	111.5	G869 A871 L918 E919 R920	G869-S916 WeakPolarHBondContact CA-OG 3.41Å; G869-S916 WeakPolarHBondContact O-CB 3.44Å; G869-S916 PolarHBondContact O-OG 3.09Å; A871-S916 VanDerWaalsContact O-CB 3.24Å; A871-S916 WeakPolarHBondContact O-CB 3.35Å; S916-L918 PolarHBondContact O-N 3.31Å; S916-E919 PolarHBondContact O-N 3.27Å; S916-R920 PolarHBondContact O-N 2.67Å
917	F	97.8	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.8	-39.8	177	-174.9	-129.2	0	0	0	111.6	V637 L638 P745 E873 C876 L877 L880 L892 R920 L921	V637-F917 HydrophobicContact CG1-CZ 4.33Å; V637-F917 WeakPolarHBondContact O-CZ 3.37Å; L638-F917 HydrophobicContact CD2-CE2 4.12Å; L638-F917 HydrophobicContact CD2-CZ 4.2Å; P745-F917 HydrophobicContact CG-CE1 4.17Å; P745-F917 HydrophobicContact CG-CZ 4.31Å; E873-F917 HydrophobicContact CB-CB 4.16Å; E873-F917 HydrophobicContact CG-CB 3.97Å; E873-F917 HydrophobicContact CG-CD2 4.08Å; E873-F917 HydrophobicContact CG-CG 4.39Å; C876-F917 HydrophobicContact CB-CB 4.06Å; L877-F917 HydrophobicContact CD2-CD2 4.45Å; L877-F917 HydrophobicContact CD2-CE2 4.48Å; L880-F917 HydrophobicContact CD2-CD1 4.11Å; L880-F917 HydrophobicContact CD2-CE1 3.48Å; L880-F917 VanDerWaalsContact CD2-CE1 3.48Å; L880-F917 HydrophobicContact CD2-CZ 4.29Å; L892-F917 HydrophobicContact CD1-CD1 3.66Å; L892-F917 HydrophobicContact CD1-CE1 3.84Å; F917-R920 PolarHBondContact O-N 3.06Å; F917-L921 HydrophobicContact CD1-CD1 3.98Å; F917-L921 HydrophobicContact CD2-CD1 4.38Å; F917-L921 HydrophobicContact CD2-CG 4.23Å; F917-L921 HydrophobicContact CE1-CD1 3.63Å; F917-L921 HydrophobicContact CE1-CG 4.43Å; F917-L921 HydrophobicContact CE2-CD1 4.07Å; F917-L921 HydrophobicContact CE2-CD2 4.09Å; F917-L921 HydrophobicContact CE2-CG 3.98Å; F917-L921 HydrophobicContact CG-CD1 4.34Å; F917-L921 HydrophobicContact CZ-CD1 3.69Å; F917-L921 HydrophobicContact CZ-CD2 4.18Å; F917-L921 HydrophobicContact CZ-CG 4.09Å; F917-L921 WeakPolarHBondContact O-CB 3.26Å; F917-L921 VanDerWaalsContact O-CG 3.28Å; F917-L921 WeakPolarHBondContact O-CG 3.37Å; F917-L921 PolarHBondContact O-N 2.8Å
918	L	97.7	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.2	-49.1	174.2	-179.5	72.6	0	0	0	112.3	I747 A868 L892 S916 L921 M922	I747-L918 HydrophobicContact CB-CD1 4.44Å; I747-L918 HydrophobicContact CD1-CD1 3.88Å; I747-L918 HydrophobicContact CG1-CD1 3.97Å; I747-L918 HydrophobicContact CG2-CD1 3.72Å; A868-L918 HydrophobicContact CB-CB 4.35Å; L892-L918 HydrophobicContact CB-CD1 3.99Å; S916-L918 PolarHBondContact O-N 3.31Å; L918-L921 PolarHBondContact O-N 2.79Å; L918-M922 VanDerWaalsContact O-CG 3.28Å; L918-M922 WeakPolarHBondContact O-CG 3.45Å; L918-M922 PolarHBondContact O-N 2.94Å
919	E	96.8	Very high	94.3	Very high	50 Å²	50	39 Å²	39	23%	0.234	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-42.8	178.9	175.9	171.1	-156.6	0	0	111.8	P896 V915 S916 L921 M922 S923 K1110	P896-E919 HydrophobicContact CB-CB 4.29Å; V915-E919 HydrophobicContact CG1-CB 4.03Å; V915-E919 HydrophobicContact CG1-CG 3.85Å; S916-E919 PolarHBondContact O-N 3.27Å; E919-L921 VanDerWaalsContact C-N 3.35Å; E919-L921 PolarHBondContact O-N 2.91Å; E919-M922 PolarHBondContact O-N 3.15Å; E919-S923 PolarHBondContact O-N 2.62Å; E919-K1110 VanDerWaalsContact OE1-CE 3.31Å; E919-K1110 WeakPolarHBondContact OE1-CE 3.46Å; E919-K1110 IonicContact OE1-NZ 3.24Å; E919-K1110 PolarHBondContact OE1-NZ 3.15Å; E919-K1110 IonicContact OE2-NZ 3.34Å; E919-K1110 PolarHBondContact OE2-NZ 2.86Å
920	R	96.8	Very high	94.3	Very high	23 Å²	23	38.5 Å²	38.5	9%	0.087	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-40	178	-167.6	178.8	62.8	73.5	-12.2	111.7	L638 E873 V915 S916 F917 S923	L638-R920 VanDerWaalsContact O-CZ 3.26Å; L638-R920 PolarHBondContact O-NH1 3.41Å; L638-R920 PolarHBondContact O-NH2 3.47Å; E873-R920 VanDerWaalsContact CD-NE 3.28Å; E873-R920 IonicContact OE1-CZ 3.42Å; E873-R920 VanDerWaalsContact OE1-CZ 3.24Å; E873-R920 IonicContact OE1-NE 3.71Å; E873-R920 PolarHBondContact OE1-NE 3.13Å; E873-R920 IonicContact OE1-NH2 2.83Å; E873-R920 PolarHBondContact OE1-NH2 3.21Å; E873-R920 WeakPolarHBondContact OE2-CD 3.34Å; E873-R920 IonicContact OE2-CZ 3.28Å; E873-R920 IonicContact OE2-NE 2.78Å; E873-R920 PolarHBondContact OE2-NE 3.39Å; E873-R920 IonicContact OE2-NH2 3.19Å; V915-R920 HydrophobicContact CG1-CB 4.13Å; S916-R920 PolarHBondContact O-N 2.67Å; F917-R920 PolarHBondContact O-N 3.06Å; R920-S923 WeakPolarHBondContact O-CB 3.43Å; R920-S923 PolarHBondContact O-N 3.28Å; R920-S923 PolarHBondContact O-OG 2.84Å
921	L	96.7	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-45.9	174	-73	176.5	0	0	0	112.2	P640 P745 I747 L892 F917 L918 E919 S923 R924 Y927	P640-L921 HydrophobicContact CG-CD2 3.5Å; P640-L921 VanDerWaalsContact CG-CD2 3.5Å; P745-L921 HydrophobicContact CB-CD1 3.8Å; P745-L921 HydrophobicContact CG-CD1 3.87Å; I747-L921 HydrophobicContact CD1-CB 4.02Å; I747-L921 HydrophobicContact CD1-CD1 4.5Å; L892-L921 HydrophobicContact CD1-CD1 3.58Å; F917-L921 HydrophobicContact CD1-CD1 3.98Å; F917-L921 HydrophobicContact CD2-CD1 4.38Å; F917-L921 HydrophobicContact CD2-CG 4.23Å; F917-L921 HydrophobicContact CE1-CD1 3.63Å; F917-L921 HydrophobicContact CE1-CG 4.43Å; F917-L921 HydrophobicContact CE2-CD1 4.07Å; F917-L921 HydrophobicContact CE2-CD2 4.09Å; F917-L921 HydrophobicContact CE2-CG 3.98Å; F917-L921 HydrophobicContact CG-CD1 4.34Å; F917-L921 HydrophobicContact CZ-CD1 3.69Å; F917-L921 HydrophobicContact CZ-CD2 4.18Å; F917-L921 HydrophobicContact CZ-CG 4.09Å; F917-L921 WeakPolarHBondContact O-CB 3.26Å; F917-L921 VanDerWaalsContact O-CG 3.28Å; F917-L921 WeakPolarHBondContact O-CG 3.37Å; F917-L921 PolarHBondContact O-N 2.8Å; L918-L921 PolarHBondContact O-N 2.79Å; E919-L921 VanDerWaalsContact C-N 3.35Å; E919-L921 PolarHBondContact O-N 2.91Å; L921-S923 PolarHBondContact O-N 2.95Å; L921-R924 WeakPolarHBondContact O-CB 3.29Å; L921-R924 PolarHBondContact O-N 3.22Å; L921-Y927 WeakPolarHBondContact O-CB 3.49Å
922	M	95.6	Very high	93.9	Very high	25 Å²	25	45.2 Å²	45.2	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-16.8	176.1	-70.1	-67	-64.7	0	0	113.6	I747 F749 P896 L918 E919 V945	I747-M922 HydrophobicContact CD1-CG 3.92Å; I747-M922 HydrophobicContact CD1-SD 3.69Å; I747-M922 HydrophobicContact CG2-SD 3.97Å; F749-M922 HydrophobicContact CD1-CE 3.93Å; F749-M922 HydrophobicContact CE1-CE 4.28Å; P896-M922 HydrophobicContact CB-CG 4.47Å; P896-M922 HydrophobicContact CG-CG 4.16Å; L918-M922 VanDerWaalsContact O-CG 3.28Å; L918-M922 WeakPolarHBondContact O-CG 3.45Å; L918-M922 PolarHBondContact O-N 2.94Å; E919-M922 PolarHBondContact O-N 3.15Å; M922-V945 HydrophobicContact SD-CG2 4.22Å
923	S	93.7	Very high	93.5	Very high	69 Å²	69	46.8 Å²	46.8	48%	0.483	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.7	171.3	82.6	0	0	0	0	114.9	E919 R920 L921 Q928	E919-S923 PolarHBondContact O-N 2.62Å; R920-S923 WeakPolarHBondContact O-CB 3.43Å; R920-S923 PolarHBondContact O-N 3.28Å; R920-S923 PolarHBondContact O-OG 2.84Å; L921-S923 PolarHBondContact O-N 2.95Å; S923-Q928 PolarHBondContact O-NE2 2.95Å
924	R	94	Very high	93.1	Very high	50 Å²	50	49.5 Å²	49.5	19%	0.189	27%	0.265	C	S	.	.	S	Bend	trans	-78.6	144.2	179.2	-73.5	-80.5	153.7	169.6	-5.6	111.2	E641 L921 A926 Y927 Q928	E641-R924 IonicContact OE1-CZ 3.84Å; E641-R924 IonicContact OE1-NH1 2.93Å; E641-R924 PolarHBondContact OE1-NH1 3.22Å; L921-R924 WeakPolarHBondContact O-CB 3.29Å; L921-R924 PolarHBondContact O-N 3.22Å; R924-A926 VanDerWaalsContact C-N 3.25Å; R924-A926 PolarHBondContact O-N 3.09Å; R924-A926 VanDerWaalsContact O-N 3.08Å; R924-Y927 HydrophobicContact CB-CD2 4.43Å; R924-Y927 PolarHBondContact O-N 2.78Å; R924-Q928 WeakPolarHBondContact O-CG 3.47Å; R924-Q928 PolarHBondContact O-N 3.14Å; R924-Q928 VanDerWaalsContact O-N 3.09Å
925	P	91.5	Very high	92.5	Very high	93 Å²	93	48.8 Å²	48.8	60%	0.604	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-38.3	-175.6	-30	36.4	0	0	0	115.1	Y927 Q928	P925-Y927 PolarHBondContact O-N 2.71Å; P925-Q928 PolarHBondContact O-N 2.73Å
926	A	91	Very high	91.5	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.2	179.3	0	0	0	0	0	114.6	R924 L944	R924-A926 VanDerWaalsContact C-N 3.25Å; R924-A926 PolarHBondContact O-N 3.09Å; R924-A926 VanDerWaalsContact O-N 3.08Å; A926-L944 HydrophobicContact CB-CD1 3.9Å; A926-L944 WeakPolarHBondContact O-CD1 3.37Å
927	Y	94.8	Very high	90.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-12.3	-177.5	-66.8	-96.7	0	0	0	113.6	P640 P745 I747 L921 R924 P925 H940 L944 V945	P640-Y927 HydrophobicContact CB-CE2 3.92Å; P640-Y927 HydrophobicContact CG-CD2 4.3Å; P640-Y927 HydrophobicContact CG-CE2 3.47Å; P640-Y927 VanDerWaalsContact CG-CE2 3.47Å; P745-Y927 VanDerWaalsContact O-CE1 3.25Å; P745-Y927 WeakPolarHBondContact O-CE1 3.43Å; P745-Y927 PolarHBondContact O-OH 3.43Å; I747-Y927 HydrophobicContact CD1-CD1 3.52Å; I747-Y927 HydrophobicContact CD1-CE1 3.65Å; I747-Y927 HydrophobicContact CD1-CG 4.43Å; I747-Y927 HydrophobicContact CG1-CD1 4.15Å; I747-Y927 HydrophobicContact CG1-CE1 3.9Å; L921-Y927 WeakPolarHBondContact O-CB 3.49Å; R924-Y927 HydrophobicContact CB-CD2 4.43Å; R924-Y927 PolarHBondContact O-N 2.78Å; P925-Y927 PolarHBondContact O-N 2.71Å; Y927-H940 PolarHBondContact O-ND1 3.19Å; Y927-L944 HydrophobicContact CD1-CB 4.13Å; Y927-L944 HydrophobicContact CD2-CD1 4.31Å; Y927-L944 HydrophobicContact CE1-CB 3.8Å; Y927-L944 HydrophobicContact CE1-CD1 4.22Å; Y927-L944 HydrophobicContact CE1-CG 4.46Å; Y927-L944 HydrophobicContact CE2-CD1 3.93Å; Y927-V945 HydrophobicContact CD1-CG2 3.69Å; Y927-V945 HydrophobicContact CE1-CG2 4.48Å
928	Q	92.6	Very high	89.5	Confident	101 Å²	101	55.9 Å²	55.9	47%	0.472	33%	0.333	S	S	.	.	S	Bend	trans	-57.9	157	177.7	-79.6	180	23.6	0	0	111.6	S923 R924 P925	S923-Q928 PolarHBondContact O-NE2 2.95Å; R924-Q928 WeakPolarHBondContact O-CG 3.47Å; R924-Q928 PolarHBondContact O-N 3.14Å; R924-Q928 VanDerWaalsContact O-N 3.09Å; P925-Q928 PolarHBondContact O-N 2.73Å
929	R	91.4	Very high	89.1	Confident	61 Å²	61	56 Å²	56	23%	0.23	33%	0.333	C	S	.	.			trans	-77.6	125.9	177.9	-174	-177.8	172.4	92.3	-7.1	109.9	E931 G938 A939 E970	R929-E931 HydrophobicContact CG-CG 4.44Å; R929-E931 IonicContact CZ-OE1 3.61Å; R929-E931 IonicContact NE-OE1 3.69Å; R929-E931 PolarHBondContact NE-OE1 3.11Å; R929-E931 IonicContact NH2-OE1 3.53Å; R929-E931 PolarHBondContact NH2-OE1 2.72Å; R929-G938 PolarHBondContact NH1-O 3.41Å; R929-A939 CarbonylContact C-O 3.54Å; R929-A939 WeakPolarHBondContact CA-O 3.42Å; R929-A939 HydrophobicContact CG-CB 3.66Å; R929-A939 VanDerWaalsContact CG-O 3.28Å; R929-A939 WeakPolarHBondContact CG-O 3.44Å; R929-E970 IonicContact CZ-OE1 3.28Å; R929-E970 IonicContact NH1-OE1 2.89Å; R929-E970 PolarHBondContact NH1-OE1 3.14Å; R929-E970 IonicContact NH1-OE2 3.4Å; R929-E970 PolarHBondContact NH1-OE2 2.95Å; R929-E970 IonicContact NH2-OE1 2.97Å; R929-E970 PolarHBondContact NH2-OE1 2.61Å
930	D	90.6	Very high	88.8	Confident	60 Å²	60	54.1 Å²	54.1	32%	0.321	32%	0.324	S	S	.	.			trans	-129.6	107.6	168.4	-172.6	-13.3	0	0	0	109.6	N932 A933 F934 A939	D930-N932 VanDerWaalsContact C-N 3.32Å; D930-N932 WeakPolarHBondContact OD1-CA 3.36Å; D930-N932 WeakPolarHBondContact OD1-CB 3.41Å; D930-N932 PolarHBondContact OD1-N 3.01Å; D930-N932 PolarHBondContact OD1-ND2 2.86Å; D930-A933 HydrophobicContact CB-CB 4.07Å; D930-A933 PolarHBondContact OD1-N 3.43Å; D930-A933 VanDerWaalsContact OD1-N 3.11Å; D930-A933 WeakPolarHBondContact OD2-CB 3.36Å; D930-F934 HydrophobicContact CB-CD2 4.1Å; D930-F934 HydrophobicContact CB-CE2 4.45Å; D930-F934 PolarHBondContact O-N 3.38Å; D930-A939 PolarHBondContact N-O 2.81Å
931	E	87.2	Confident	88.7	Confident	113 Å²	113	53.9 Å²	53.9	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-72.5	-24.8	179	-67	179.5	174.6	0	0	112.5	R929 G935 A939	R929-E931 HydrophobicContact CG-CG 4.44Å; R929-E931 IonicContact CZ-OE1 3.61Å; R929-E931 IonicContact NE-OE1 3.69Å; R929-E931 PolarHBondContact NE-OE1 3.11Å; R929-E931 IonicContact NH2-OE1 3.53Å; R929-E931 PolarHBondContact NH2-OE1 2.72Å; E931-G935 VanDerWaalsContact O-CA 3.27Å; E931-G935 WeakPolarHBondContact O-CA 2.88Å; E931-G935 PolarHBondContact O-N 3.02Å; E931-G935 VanDerWaalsContact O-N 3.13Å; E931-A939 HydrophobicContact CB-CB 4.22Å; E931-A939 HydrophobicContact CG-CB 3.56Å
932	N	87.8	Confident	88.5	Confident	158 Å²	158	54.9 Å²	54.9	85%	0.845	33%	0.331	S	S	*	.	H	α-helix	trans	-79.4	-43.6	179.1	-48.5	-75.7	0	0	0	111	D930	D930-N932 VanDerWaalsContact C-N 3.32Å; D930-N932 WeakPolarHBondContact OD1-CA 3.36Å; D930-N932 WeakPolarHBondContact OD1-CB 3.41Å; D930-N932 PolarHBondContact OD1-N 3.01Å; D930-N932 PolarHBondContact OD1-ND2 2.86Å
933	A	84.5	Confident	88.3	Confident	57 Å²	57	55.7 Å²	55.7	47%	0.471	34%	0.336	S	S	.	.	H	α-helix	trans	-78.7	-37.1	179.6	0	0	0	0	0	113.1	D930	D930-A933 HydrophobicContact CB-CB 4.07Å; D930-A933 PolarHBondContact OD1-N 3.43Å; D930-A933 VanDerWaalsContact OD1-N 3.11Å; D930-A933 WeakPolarHBondContact OD2-CB 3.36Å
934	F	87.5	Confident	88.4	Confident	60 Å²	60	52.5 Å²	52.5	26%	0.263	31%	0.313	S	S	.	.	H	α-helix	trans	-128.8	15.4	-168.1	-51.2	-63.2	0	0	0	114.8	D930 A936 C937 A939 H940 N941	D930-F934 HydrophobicContact CB-CD2 4.1Å; D930-F934 HydrophobicContact CB-CE2 4.45Å; D930-F934 PolarHBondContact O-N 3.38Å; F934-A936 PolarHBondContact O-N 2.72Å; F934-A936 VanDerWaalsContact O-N 3.11Å; F934-C937 CarbonylContact O-C 3.28Å; F934-C937 WeakPolarHBondContact O-CA 3.42Å; F934-C937 PolarHBondContact O-N 2.85Å; F934-A939 VanDerWaalsContact O-CA 3.26Å; F934-A939 WeakPolarHBondContact O-CA 3.24Å; F934-A939 PolarHBondContact O-N 2.98Å; F934-H940 WeakPolarHBondContact CB-O 3.38Å; F934-N941 HydrophobicContact CD1-CB 4.47Å; F934-N941 HydrophobicContact CD2-CB 4.26Å; F934-N941 HydrophobicContact CE1-CB 4.01Å; F934-N941 HydrophobicContact CE2-CB 3.78Å; F934-N941 HydrophobicContact CZ-CB 3.64Å
935	G	81.2	Confident	88.5	Confident	44 Å²	44	50.2 Å²	50.2	45%	0.454	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-50.5	-39	-176.9	0	0	0	0	0	114.4	E931 C937 G938	E931-G935 VanDerWaalsContact O-CA 3.27Å; E931-G935 WeakPolarHBondContact O-CA 2.88Å; E931-G935 PolarHBondContact O-N 3.02Å; E931-G935 VanDerWaalsContact O-N 3.13Å; G935-C937 PolarHBondContact O-N 2.81Å; G935-C937 VanDerWaalsContact O-N 3.14Å; G935-G938 PolarHBondContact O-N 2.99Å
936	A	75.2	Confident	88.7	Confident	107 Å²	107	46.1 Å²	46.1	88%	0.884	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-67.9	-6.6	175.9	0	0	0	0	0	115.2	F934	F934-A936 PolarHBondContact O-N 2.72Å; F934-A936 VanDerWaalsContact O-N 3.11Å
937	C	75.6	Confident	88.9	Confident	66 Å²	66	45.7 Å²	45.7	45%	0.446	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-126	24.7	-177.5	-67	0	0	0	0	112.4	F934 G935 P942	F934-C937 CarbonylContact O-C 3.28Å; F934-C937 WeakPolarHBondContact O-CA 3.42Å; F934-C937 PolarHBondContact O-N 2.85Å; G935-C937 PolarHBondContact O-N 2.81Å; G935-C937 VanDerWaalsContact O-N 3.14Å; C937-P942 HydrophobicContact CB-CB 4.16Å; C937-P942 HydrophobicContact CB-CG 4.11Å
938	G	78.1	Confident	89	Confident	22 Å²	22	45.7 Å²	45.7	23%	0.227	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	22	-176.3	0	0	0	0	0	113.9	R929 G935 H940	R929-G938 PolarHBondContact NH1-O 3.41Å; G935-G938 PolarHBondContact O-N 2.99Å; G938-H940 PolarHBondContact O-CD2 3.37Å; G938-H940 PolarHBondContact O-N 3.41Å
939	A	88.2	Confident	89.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.008	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	19.8	175.8	0	0	0	0	0	116.4	R929 D930 E931 F934	R929-A939 CarbonylContact C-O 3.54Å; R929-A939 WeakPolarHBondContact CA-O 3.42Å; R929-A939 HydrophobicContact CG-CB 3.66Å; R929-A939 VanDerWaalsContact CG-O 3.28Å; R929-A939 WeakPolarHBondContact CG-O 3.44Å; D930-A939 PolarHBondContact N-O 2.81Å; E931-A939 HydrophobicContact CB-CB 4.22Å; E931-A939 HydrophobicContact CG-CB 3.56Å; F934-A939 VanDerWaalsContact O-CA 3.26Å; F934-A939 WeakPolarHBondContact O-CA 3.24Å; F934-A939 PolarHBondContact O-N 2.98Å
940	H	91.9	Very high	89.4	Confident	12 Å²	12	41.8 Å²	41.8	6%	0.056	26%	0.258	C	S	.	.	S	Bend	trans	-122.2	156.6	164.7	-64.3	-92.6	0	0	0	109.7	Y927 F934 G938 P942 V945	Y927-H940 PolarHBondContact O-ND1 3.19Å; F934-H940 WeakPolarHBondContact CB-O 3.38Å; G938-H940 PolarHBondContact O-CD2 3.37Å; G938-H940 PolarHBondContact O-N 3.41Å; H940-P942 VanDerWaalsContact O-CD 3.27Å; H940-P942 WeakPolarHBondContact O-CD 3.3Å; H940-P942 VanDerWaalsContact O-N 3.15Å; H940-V945 HydrophobicContact CB-CB 3.71Å; H940-V945 HydrophobicContact CB-CG1 3.87Å; H940-V945 HydrophobicContact CB-CG2 4.19Å
941	N	92.8	Very high	89.6	Confident	18 Å²	18	39 Å²	39	10%	0.096	24%	0.243	C	C	.	.			trans	-62.6	114.3	178.5	-174.2	-19	0	0	0	110.8	I643 F934 L943 L944 V945	I643-N941 WeakPolarHBondContact CD1-ND2 3.37Å; F934-N941 HydrophobicContact CD1-CB 4.47Å; F934-N941 HydrophobicContact CD2-CB 4.26Å; F934-N941 HydrophobicContact CE1-CB 4.01Å; F934-N941 HydrophobicContact CE2-CB 3.78Å; F934-N941 HydrophobicContact CZ-CB 3.64Å; N941-L943 PolarHBondContact O-N 3.41Å; N941-L943 WeakPolarHBondContact OD1-CB 3.4Å; N941-L943 PolarHBondContact OD1-N 3.16Å; N941-L943 VanDerWaalsContact OD1-N 3.1Å; N941-L944 PolarHBondContact O-N 3.41Å; N941-V945 PolarHBondContact O-N 2.71Å
942	P	92.3	Very high	90	Very high	21 Å²	21	38 Å²	38	14%	0.136	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.6	-173.8	30	-37.3	0	0	0	114.1	R735 C937 H940 V945	R735-P942 WeakPolarHBondContact CD-O 3.33Å; R735-P942 WeakPolarHBondContact CG-O 3.3Å; R735-P942 PolarHBondContact NE-O 2.79Å; R735-P942 VanDerWaalsContact NE-O 3.15Å; C937-P942 HydrophobicContact CB-CB 4.16Å; C937-P942 HydrophobicContact CB-CG 4.11Å; H940-P942 VanDerWaalsContact O-CD 3.27Å; H940-P942 WeakPolarHBondContact O-CD 3.3Å; H940-P942 VanDerWaalsContact O-N 3.15Å; P942-V945 WeakPolarHBondContact CA-O 3.4Å
943	L	93	Very high	90.3	Very high	42 Å²	42	31.5 Å²	31.5	22%	0.22	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-25.6	171.9	-65.4	165.2	0	0	0	112.8	L645 Y746 N941	L645-L943 HydrophobicContact CD2-CD1 4.26Å; L645-L943 HydrophobicContact CD2-CD2 4.3Å; Y746-L943 WeakPolarHBondContact CD2-O 3.11Å; N941-L943 PolarHBondContact O-N 3.41Å; N941-L943 WeakPolarHBondContact OD1-CB 3.4Å; N941-L943 PolarHBondContact OD1-N 3.16Å; N941-L943 VanDerWaalsContact OD1-N 3.1Å
944	L	94.8	Very high	90.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-27.6	-175.2	-67	-175.5	0	0	0	113.9	I643 C741 L744 I747 A926 Y927 N941	I643-L944 HydrophobicContact CD1-CD1 3.46Å; I643-L944 VanDerWaalsContact CD1-CD1 3.46Å; I643-L944 HydrophobicContact CD1-CG 4Å; I643-L944 HydrophobicContact CG1-CD1 3.87Å; C741-L944 HydrophobicContact CB-CD2 3.77Å; L744-L944 HydrophobicContact CB-CD2 4.02Å; L744-L944 HydrophobicContact CD2-CD1 4.45Å; L744-L944 HydrophobicContact CD2-CD2 3.83Å; I747-L944 PolarHBondContact N-O 3.04Å; A926-L944 HydrophobicContact CB-CD1 3.9Å; A926-L944 WeakPolarHBondContact O-CD1 3.37Å; Y927-L944 HydrophobicContact CD1-CB 4.13Å; Y927-L944 HydrophobicContact CD2-CD1 4.31Å; Y927-L944 HydrophobicContact CE1-CB 3.8Å; Y927-L944 HydrophobicContact CE1-CD1 4.22Å; Y927-L944 HydrophobicContact CE1-CG 4.46Å; Y927-L944 HydrophobicContact CE2-CD1 3.93Å; N941-L944 PolarHBondContact O-N 3.41Å
945	V	96.4	Very high	91.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.4	-177.5	-174.8	0	0	0	0	108.9	I747 F749 M922 Y927 H940 N941 P942	I747-V945 HydrophobicContact CB-CG2 4.33Å; I747-V945 HydrophobicContact CG2-CG1 4.43Å; I747-V945 WeakPolarHBondContact O-CA 3.43Å; F749-V945 HydrophobicContact CB-CG1 4.19Å; M922-V945 HydrophobicContact SD-CG2 4.22Å; Y927-V945 HydrophobicContact CD1-CG2 3.69Å; Y927-V945 HydrophobicContact CE1-CG2 4.48Å; H940-V945 HydrophobicContact CB-CB 3.71Å; H940-V945 HydrophobicContact CB-CG1 3.87Å; H940-V945 HydrophobicContact CB-CG2 4.19Å; N941-V945 PolarHBondContact O-N 2.71Å; P942-V945 WeakPolarHBondContact CA-O 3.4Å
946	T	96.1	Very high	91.8	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.043	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.6	155.8	-74.4	0	0	0	0	109.7	N728 L731 A732 Y746 I747 F749	N728-T946 HydrophobicContact CB-CG2 4.34Å; N728-T946 WeakPolarHBondContact O-CG2 3.35Å; L731-T946 HydrophobicContact CD2-CG2 4.49Å; A732-T946 HydrophobicContact CB-CG2 3.96Å; Y746-T946 WeakPolarHBondContact OH-CB 3.28Å; Y746-T946 PolarHBondContact OH-OG1 3.19Å; I747-T946 PolarHBondContact O-N 3.32Å; F749-T946 PolarHBondContact N-O 2.86Å
947	K	95.8	Very high	92.7	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.03	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.7	177.3	-174.5	178.5	171.9	-171.8	0	109.9	N728 F749 V949 Y967 E970	N728-K947 PolarHBondContact ND2-O 3.09Å; F749-K947 HydrophobicContact CB-CB 4.46Å; F749-K947 HydrophobicContact CD1-CB 4.34Å; F749-K947 HydrophobicContact CD1-CD 4.14Å; F749-K947 HydrophobicContact CD1-CG 4.05Å; F749-K947 HydrophobicContact CE1-CD 4.12Å; F749-K947 HydrophobicContact CE1-CG 4.45Å; F749-K947 HydrophobicContact CG-CG 4.23Å; F749-K947 CarbonylContact O-C 3.53Å; F749-K947 VanDerWaalsContact O-CA 3.28Å; F749-K947 WeakPolarHBondContact O-CA 3.43Å; K947-V949 HydrophobicContact CG-CG2 4.44Å; K947-Y967 PolarHBondContact NZ-O 3.02Å; K947-E970 IonicContact NZ-OE2 2.74Å; K947-E970 PolarHBondContact NZ-OE2 2.78Å
948	L	96.1	Very high	93.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.			trans	-79.9	131.2	169.6	-55.5	-176.5	0	0	0	109	N728 Q729 L748 F749 P751 T754	N728-L948 HydrophobicContact CB-CD2 4.12Å; Q729-L948 HydrophobicContact CG-CD2 3.79Å; L748-L948 HydrophobicContact CD1-CD1 3.96Å; L748-L948 HydrophobicContact CD1-CD2 3.9Å; L748-L948 HydrophobicContact CD1-CG 3.81Å; L748-L948 HydrophobicContact CG-CD1 4.38Å; F749-L948 PolarHBondContact O-N 3.44Å; P751-L948 VanDerWaalsContact CD-O 3.31Å; P751-L948 WeakPolarHBondContact CD-O 3.36Å; T754-L948 HydrophobicContact CG2-CB 4.41Å; T754-L948 WeakPolarHBondContact O-CD1 3.16Å; T754-L948 WeakPolarHBondContact OG1-CB 3.35Å
949	V	94.9	Very high	94.5	Very high	16 Å²	16	23.7 Å²	23.7	10%	0.097	11%	0.114	C	C	.	.			trans	-115.1	-39.9	-167.4	174.3	0	0	0	0	112.5	N728 K947 N951 E970 L971 E972	N728-V949 WeakPolarHBondContact ND2-CG2 3.42Å; K947-V949 HydrophobicContact CG-CG2 4.44Å; V949-N951 PolarHBondContact O-N 3.1Å; V949-E970 WeakPolarHBondContact CG1-O 3.17Å; V949-L971 WeakPolarHBondContact O-CA 3.17Å; V949-E972 HydrophobicContact CG1-CB 4.45Å; V949-E972 HydrophobicContact CG1-CG 4.03Å; V949-E972 PolarHBondContact O-N 3.28Å
950	K	96.3	Very high	94.8	Very high	64 Å²	64	28.7 Å²	28.7	28%	0.278	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118.6	178.7	-65.1	178.7	-171.6	-73.2	0	110.5	N726 T754 Y952 E972 C974	N726-K950 HydrophobicContact CB-CD 3.72Å; T754-K950 VanDerWaalsContact CA-O 3.32Å; T754-K950 WeakPolarHBondContact CA-O 3.48Å; K950-Y952 HydrophobicContact CB-CE2 3.98Å; K950-Y952 WeakPolarHBondContact O-CD2 3.38Å; K950-Y952 WeakPolarHBondContact O-CE2 3.48Å; K950-E972 HydrophobicContact CG-CB 4.2Å; K950-E972 WeakPolarHBondContact CG-OE2 3.38Å; K950-E972 IonicContact NZ-OE2 3.47Å; K950-E972 PolarHBondContact NZ-OE2 3.16Å; K950-C974 HydrophobicContact CB-CB 4.14Å
951	N	96.2	Very high	94.8	Very high	2 Å²	2	29 Å²	29	1%	0.011	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.4	176.8	173.5	-73.2	0	0	0	110.2	P752 V949 R953 S954 L959 E972 C974 A975	P752-N951 PolarHBondContact O-ND2 3.21Å; V949-N951 PolarHBondContact O-N 3.1Å; N951-R953 PolarHBondContact OD1-N 2.9Å; N951-S954 PolarHBondContact OD1-N 3.48Å; N951-L959 HydrophobicContact CB-CD1 3.91Å; N951-L959 HydrophobicContact CB-CD2 3.7Å; N951-L959 HydrophobicContact CB-CG 4.49Å; N951-E972 PolarHBondContact N-O 3.28Å; N951-C974 CarbonylContact O-C 3.44Å; N951-C974 WeakPolarHBondContact O-CA 3.35Å; N951-C974 PolarHBondContact O-N 3.36Å; N951-A975 PolarHBondContact O-N 3.29Å; N951-A975 VanDerWaalsContact O-N 3.1Å
952	Y	95.4	Very high	94.8	Very high	91 Å²	91	28.3 Å²	28.3	36%	0.357	14%	0.137	S	C	.	.	S	Bend	trans	-102.7	14.2	-177.8	-60	-89.3	0	0	0	113.1	N726 G753 K950 C974 A975	N726-Y952 PolarHBondContact ND2-OH 3.19Å; G753-Y952 PolarHBondContact O-N 3.48Å; K950-Y952 HydrophobicContact CB-CE2 3.98Å; K950-Y952 WeakPolarHBondContact O-CD2 3.38Å; K950-Y952 WeakPolarHBondContact O-CE2 3.48Å; Y952-C974 HydrophobicContact CD1-CB 3.87Å; Y952-C974 VanDerWaalsContact CD1-O 3.24Å; Y952-C974 WeakPolarHBondContact CD1-O 3.45Å; Y952-C974 HydrophobicContact CE1-CB 3.74Å; Y952-A975 VanDerWaalsContact C-CB 3.47Å
953	R	94.3	Very high	95	Very high	22 Å²	22	27.6 Å²	27.6	8%	0.083	13%	0.133	C	C	.	.	S	Bend	trans	-111.8	-49.3	-170	179.3	-173.4	-74	-172.7	-10	114.3	N951 E1080 T1117 K1120	N951-R953 PolarHBondContact OD1-N 2.9Å; R953-E1080 IonicContact CZ-OE2 3.24Å; R953-E1080 IonicContact NE-OE2 3.74Å; R953-E1080 PolarHBondContact NE-OE2 3.39Å; R953-E1080 IonicContact NH2-OE2 2.99Å; R953-E1080 PolarHBondContact NH2-OE2 2.95Å; R953-T1117 WeakPolarHBondContact CD-O 3.47Å; R953-T1117 PolarHBondContact NH1-O 2.77Å; R953-K1120 HydrophobicContact CG-CG 4.02Å; R953-K1120 VanDerWaalsContact O-CA 3.31Å; R953-K1120 WeakPolarHBondContact O-CA 3.41Å; R953-K1120 WeakPolarHBondContact O-CB 3.46Å; R953-K1120 WeakPolarHBondContact O-CG 3.49Å
954	S	94.6	Very high	95	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.028	14%	0.139	C	C	.	.	S	Bend	trans	-122.3	145	-155.9	-58.1	0	0	0	0	113	N951 P1119	N951-S954 PolarHBondContact OD1-N 3.48Å; S954-P1119 PolarHBondContact OG-O 3.14Å
955	H	95.5	Very high	94.8	Very high	29 Å²	29	32.1 Å²	32.1	13%	0.134	15%	0.149	C	C	.	.			trans	-56.4	148.2	172.1	-168.2	-90.7	0	0	0	112.6	A957 L958 L959 V980 P995 K1120	H955-A957 PolarHBondContact ND1-N 2.84Å; H955-A957 PolarHBondContact O-N 2.73Å; H955-L958 HydrophobicContact CB-CD1 4.28Å; H955-L958 HydrophobicContact CB-CG 4.35Å; H955-L958 WeakPolarHBondContact O-CA 3.06Å; H955-L958 WeakPolarHBondContact O-CB 3.23Å; H955-L958 PolarHBondContact O-N 3.22Å; H955-L959 PolarHBondContact O-N 3.25Å; H955-V980 HydrophobicContact CB-CB 4.07Å; H955-V980 PolarHBondContact CD2-O 2.91Å; H955-P995 HydrophobicContact CB-CG 3.89Å; H955-P995 WeakPolarHBondContact ND1-CG 3.27Å; H955-K1120 PolarHBondContact N-O 3.25Å; H955-K1120 VanDerWaalsContact N-O 3.09Å
956	E	94.6	Very high	94.6	Very high	130 Å²	130	33.3 Å²	33.3	61%	0.607	16%	0.155	S	C	*	.	H	α-helix	trans	-49.7	-51.1	-177.7	-171.7	-174.5	178.6	0	0	113.7	L958 L959 M960 V973	E956-L958 PolarHBondContact O-N 3.29Å; E956-L958 VanDerWaalsContact O-N 3.16Å; E956-L959 PolarHBondContact O-N 3.1Å; E956-M960 PolarHBondContact O-N 2.93Å; E956-V973 HydrophobicContact CB-CG2 3.78Å; E956-V973 HydrophobicContact CG-CG2 3.95Å
957	A	94.3	Very high	94.5	Very high	16 Å²	16	33 Å²	33	13%	0.132	15%	0.152	C	C	.	.	H	α-helix	trans	-56.1	-31.2	177.8	0	0	0	0	0	113.8	H955 F994 P995	H955-A957 PolarHBondContact ND1-N 2.84Å; H955-A957 PolarHBondContact O-N 2.73Å; A957-F994 HydrophobicContact CB-CD2 3.94Å; A957-F994 HydrophobicContact CB-CE2 3.79Å; A957-P995 HydrophobicContact CB-CG 4.26Å
958	L	95.2	Very high	94.4	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-82.1	-35	176.8	-59.8	178.7	0	0	0	111.7	H955 E956 P962 P995 L996 P1119 L1123	H955-L958 HydrophobicContact CB-CD1 4.28Å; H955-L958 HydrophobicContact CB-CG 4.35Å; H955-L958 WeakPolarHBondContact O-CA 3.06Å; H955-L958 WeakPolarHBondContact O-CB 3.23Å; H955-L958 PolarHBondContact O-N 3.22Å; E956-L958 PolarHBondContact O-N 3.29Å; E956-L958 VanDerWaalsContact O-N 3.16Å; L958-P962 WeakPolarHBondContact O-CD 3.37Å; L958-P962 WeakPolarHBondContact O-CG 3.38Å; L958-P995 HydrophobicContact CD1-CG 4.48Å; L958-P995 HydrophobicContact CG-CG 4.22Å; L958-L996 HydrophobicContact CD2-CB 4.19Å; L958-L996 HydrophobicContact CD2-CD1 4.22Å; L958-P1119 HydrophobicContact CD1-CB 4.25Å; L958-P1119 HydrophobicContact CD1-CG 4.16Å; L958-L1123 HydrophobicContact CD2-CB 3.53Å; L958-L1123 HydrophobicContact CD2-CD2 4.27Å
959	L	95.2	Very high	94.2	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-75.2	-31.8	179.6	-168.4	66	0	0	0	113	N951 H955 E956 L961 P962 S963 L971 V973	N951-L959 HydrophobicContact CB-CD1 3.91Å; N951-L959 HydrophobicContact CB-CD2 3.7Å; N951-L959 HydrophobicContact CB-CG 4.49Å; H955-L959 PolarHBondContact O-N 3.25Å; E956-L959 PolarHBondContact O-N 3.1Å; L959-L961 VanDerWaalsContact C-N 3.33Å; L959-L961 PolarHBondContact O-N 3.28Å; L959-P962 VanDerWaalsContact O-CD 3.23Å; L959-P962 WeakPolarHBondContact O-CD 3.02Å; L959-P962 WeakPolarHBondContact O-CG 3.14Å; L959-S963 WeakPolarHBondContact O-CB 3.34Å; L959-S963 PolarHBondContact O-N 2.81Å; L959-L971 HydrophobicContact CD1-CB 4.21Å; L959-L971 HydrophobicContact CD1-CD1 3.79Å; L959-L971 HydrophobicContact CD2-CB 4Å; L959-L971 HydrophobicContact CG-CB 4.14Å; L959-V973 HydrophobicContact CD2-CG2 3.69Å
960	M	95.2	Very high	94.1	Very high	106 Å²	106	48.2 Å²	48.2	52%	0.522	21%	0.214	S	C	.	.	H	α-helix	trans	-53.5	-45.1	-176.4	-172.7	-151.4	-61.4	0	0	113	E956 R964	E956-M960 PolarHBondContact O-N 2.93Å; M960-R964 VanDerWaalsContact O-CB 3.25Å; M960-R964 WeakPolarHBondContact O-CB 3.39Å; M960-R964 PolarHBondContact O-N 3.38Å
961	L	92	Very high	94	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-56.1	-178	179.7	60.4	0	0	0	113.4	L959 R964 L965 F1112 I1116 L1161 I1162	L959-L961 VanDerWaalsContact C-N 3.33Å; L959-L961 PolarHBondContact O-N 3.28Å; L961-R964 PolarHBondContact O-N 2.86Å; L961-L965 HydrophobicContact CD1-CD1 3.69Å; L961-L965 HydrophobicContact CD1-CG 4.12Å; L961-L965 HydrophobicContact CG-CD1 4.11Å; L961-L965 PolarHBondContact O-N 3.44Å; L961-F1112 HydrophobicContact CD2-CZ 4.3Å; L961-I1116 HydrophobicContact CD2-CD1 4.08Å; L961-I1116 HydrophobicContact CG-CD1 4.1Å; L961-L1161 HydrophobicContact CD1-CB 3.6Å; L961-L1161 HydrophobicContact CD1-CD1 3.7Å; L961-L1161 HydrophobicContact CD1-CG 4.29Å; L961-I1162 HydrophobicContact CD2-CG1 3.81Å
962	P	93.7	Very high	94	Very high	2 Å²	2	50 Å²	50	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-38.3	176.8	23.7	-31.3	0	0	0	112	L958 L959 R964 L965 F966 Y967 I1116 T1117	L958-P962 WeakPolarHBondContact O-CD 3.37Å; L958-P962 WeakPolarHBondContact O-CG 3.38Å; L959-P962 VanDerWaalsContact O-CD 3.23Å; L959-P962 WeakPolarHBondContact O-CD 3.02Å; L959-P962 WeakPolarHBondContact O-CG 3.14Å; P962-R964 VanDerWaalsContact C-N 3.32Å; P962-R964 PolarHBondContact O-N 2.74Å; P962-L965 PolarHBondContact O-N 2.92Å; P962-F966 HydrophobicContact CB-CD2 4.29Å; P962-F966 PolarHBondContact O-N 2.69Å; P962-Y967 HydrophobicContact CB-CE2 4.25Å; P962-Y967 VanDerWaalsContact O-CD2 3.26Å; P962-Y967 WeakPolarHBondContact O-CD2 3.46Å; P962-I1116 HydrophobicContact CB-CD1 3.95Å; P962-I1116 HydrophobicContact CB-CG1 4.24Å; P962-I1116 HydrophobicContact CG-CD1 4.17Å; P962-I1116 HydrophobicContact CG-CG1 4.36Å; P962-T1117 HydrophobicContact CB-CG2 3.68Å; P962-T1117 HydrophobicContact CG-CG2 3.8Å
963	S	95.5	Very high	94	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-53.2	-50	173.7	-173.9	0	0	0	0	111	L959 Y967 H968 R969 L971	L959-S963 WeakPolarHBondContact O-CB 3.34Å; L959-S963 PolarHBondContact O-N 2.81Å; S963-Y967 CarbonylContact O-C 3.55Å; S963-Y967 WeakPolarHBondContact O-CA 3.35Å; S963-Y967 PolarHBondContact O-N 3.39Å; S963-Y967 VanDerWaalsContact O-N 3.15Å; S963-H968 PolarHBondContact O-N 3.3Å; S963-R969 WeakPolarHBondContact O-CA 3.09Å; S963-R969 PolarHBondContact O-N 2.8Å; S963-R969 WeakPolarHBondContact OG-CA 3.45Å; S963-R969 PolarHBondContact OG-O 2.81Å; S963-L971 WeakPolarHBondContact OG-CB 3.42Å; S963-L971 PolarHBondContact OG-N 2.81Å
964	R	94	Very high	94	Very high	97 Å²	97	49.8 Å²	49.8	37%	0.366	24%	0.236	S	C	.	.	H	α-helix	trans	-66.7	-35.4	178.1	178.3	174.9	60.4	-178.2	-6	114.6	M960 L961 P962 R969	M960-R964 VanDerWaalsContact O-CB 3.25Å; M960-R964 WeakPolarHBondContact O-CB 3.39Å; M960-R964 PolarHBondContact O-N 3.38Å; L961-R964 PolarHBondContact O-N 2.86Å; P962-R964 VanDerWaalsContact C-N 3.32Å; P962-R964 PolarHBondContact O-N 2.74Å; R964-R969 HydrophobicContact CB-CG 3.99Å; R964-R969 HydrophobicContact CG-CG 4.1Å
965	L	89.5	Confident	93.9	Very high	41 Å²	41	50 Å²	50	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-85.4	-39.2	-174.3	-79.2	177	0	0	0	114.2	L961 P962 F1112 A1156 L1161	L961-L965 HydrophobicContact CD1-CD1 3.69Å; L961-L965 HydrophobicContact CD1-CG 4.12Å; L961-L965 HydrophobicContact CG-CD1 4.11Å; L961-L965 PolarHBondContact O-N 3.44Å; P962-L965 PolarHBondContact O-N 2.92Å; L965-F1112 HydrophobicContact CD1-CE1 3.87Å; L965-A1156 HydrophobicContact CD2-CB 3.94Å; L965-L1161 HydrophobicContact CD1-CD1 4.19Å; L965-L1161 HydrophobicContact CD2-CD1 3.77Å; L965-L1161 HydrophobicContact CG-CD1 4.11Å
966	F	92.6	Very high	93.9	Very high	27 Å²	27	52.5 Å²	52.5	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-118.1	-18.8	-168	-59.2	-74	0	0	0	113.7	M897 P962 S1109 F1112 N1113	M897-F966 HydrophobicContact CB-CB 4.16Å; M897-F966 HydrophobicContact CB-CD1 4.36Å; M897-F966 HydrophobicContact CG-CB 4.36Å; P962-F966 HydrophobicContact CB-CD2 4.29Å; P962-F966 PolarHBondContact O-N 2.69Å; F966-S1109 VanDerWaalsContact CZ-O 3.31Å; F966-S1109 WeakPolarHBondContact CZ-O 3.34Å; F966-F1112 HydrophobicContact CE2-CD1 4.08Å; F966-F1112 HydrophobicContact CZ-CD1 4.05Å; F966-N1113 HydrophobicContact CD1-CB 4.17Å; F966-N1113 HydrophobicContact CD2-CB 3.74Å; F966-N1113 VanDerWaalsContact CD2-CG 3.44Å; F966-N1113 WeakPolarHBondContact CD2-OD1 3.49Å; F966-N1113 HydrophobicContact CE1-CB 3.97Å; F966-N1113 HydrophobicContact CE2-CB 3.54Å; F966-N1113 HydrophobicContact CG-CB 4.07Å; F966-N1113 HydrophobicContact CZ-CB 3.67Å
967	Y	94.4	Very high	93.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-131.4	25.9	-167.6	-46.5	-70.3	0	0	0	113.3	F749 P751 P752 D895 M897 K947 P962 S963 R969 E970 L971 N1113	F749-Y967 HydrophobicContact CE2-CD1 4.27Å; F749-Y967 HydrophobicContact CE2-CE1 4.16Å; F749-Y967 HydrophobicContact CZ-CD1 4.06Å; F749-Y967 HydrophobicContact CZ-CE1 4.29Å; P751-Y967 HydrophobicContact CB-CD1 3.93Å; P751-Y967 HydrophobicContact CB-CE1 3.68Å; P751-Y967 HydrophobicContact CB-CE2 4.42Å; P751-Y967 HydrophobicContact CB-CG 4.4Å; P751-Y967 HydrophobicContact CG-CD1 3.68Å; P751-Y967 HydrophobicContact CG-CE1 3.8Å; P751-Y967 HydrophobicContact CG-CG 4.34Å; P752-Y967 WeakPolarHBondContact CD-OH 3.22Å; D895-Y967 PolarHBondContact OD2-OH 3.49Å; M897-Y967 HydrophobicContact CB-CE1 4.09Å; M897-Y967 HydrophobicContact CG-CE1 4.35Å; K947-Y967 PolarHBondContact NZ-O 3.02Å; P962-Y967 HydrophobicContact CB-CE2 4.25Å; P962-Y967 VanDerWaalsContact O-CD2 3.26Å; P962-Y967 WeakPolarHBondContact O-CD2 3.46Å; S963-Y967 CarbonylContact O-C 3.55Å; S963-Y967 WeakPolarHBondContact O-CA 3.35Å; S963-Y967 PolarHBondContact O-N 3.39Å; S963-Y967 VanDerWaalsContact O-N 3.15Å; Y967-R969 VanDerWaalsContact C-N 3.25Å; Y967-R969 PolarHBondContact O-N 3.1Å; Y967-E970 WeakPolarHBondContact O-CB 3.39Å; Y967-E970 PolarHBondContact O-N 3.04Å; Y967-E970 VanDerWaalsContact O-N 3.09Å; Y967-L971 HydrophobicContact CD2-CD1 3.43Å; Y967-L971 VanDerWaalsContact CD2-CD1 3.43Å; Y967-L971 HydrophobicContact CD2-CG 4.05Å; Y967-L971 HydrophobicContact CE2-CD1 3.97Å; Y967-L971 HydrophobicContact CG-CD1 3.9Å; Y967-L971 HydrophobicContact CG-CD2 4.22Å; Y967-L971 HydrophobicContact CG-CG 4.09Å; Y967-N1113 PolarHBondContact OH-ND2 3.23Å; Y967-N1113 PolarHBondContact OH-OD1 2.64Å; Y967-N1113 VanDerWaalsContact OH-OD1 3.06Å
968	H	92.2	Very high	93.7	Very high	100 Å²	100	54.5 Å²	54.5	46%	0.463	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	24.5	173	-55.4	92.8	0	0	0	115.7	S963 E970	S963-H968 PolarHBondContact O-N 3.3Å; H968-E970 HydrophobicContact CB-CG 4.2Å; H968-E970 PolarHBondContact O-N 3.43Å
969	R	92.3	Very high	93.6	Very high	193 Å²	193	56.8 Å²	56.8	73%	0.728	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	10.5	-172.4	-50.6	175	-171.1	-162.1	4.4	114.9	S963 R964 Y967	S963-R969 WeakPolarHBondContact O-CA 3.09Å; S963-R969 PolarHBondContact O-N 2.8Å; S963-R969 WeakPolarHBondContact OG-CA 3.45Å; S963-R969 PolarHBondContact OG-O 2.81Å; R964-R969 HydrophobicContact CB-CG 3.99Å; R964-R969 HydrophobicContact CG-CG 4.1Å; Y967-R969 VanDerWaalsContact C-N 3.25Å; Y967-R969 PolarHBondContact O-N 3.1Å
970	E	92.6	Very high	93.4	Very high	50 Å²	50	56.9 Å²	56.9	23%	0.234	29%	0.289	C	S	.	.			trans	-77	-25.7	-171.4	-64.8	172.6	161.5	0	0	113.6	R929 K947 V949 Y967 H968 E972	R929-E970 IonicContact CZ-OE1 3.28Å; R929-E970 IonicContact NH1-OE1 2.89Å; R929-E970 PolarHBondContact NH1-OE1 3.14Å; R929-E970 IonicContact NH1-OE2 3.4Å; R929-E970 PolarHBondContact NH1-OE2 2.95Å; R929-E970 IonicContact NH2-OE1 2.97Å; R929-E970 PolarHBondContact NH2-OE1 2.61Å; K947-E970 IonicContact NZ-OE2 2.74Å; K947-E970 PolarHBondContact NZ-OE2 2.78Å; V949-E970 WeakPolarHBondContact CG1-O 3.17Å; Y967-E970 WeakPolarHBondContact O-CB 3.39Å; Y967-E970 PolarHBondContact O-N 3.04Å; Y967-E970 VanDerWaalsContact O-N 3.09Å; H968-E970 HydrophobicContact CB-CG 4.2Å; H968-E970 PolarHBondContact O-N 3.43Å; E970-E972 PolarHBondContact O-N 2.9Å
971	L	94.9	Very high	93.3	Very high	15 Å²	15	55 Å²	55	8%	0.079	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-64.5	125.4	-169.5	-53	-172.9	0	0	0	113.1	P751 V949 L959 S963 Y967	P751-L971 HydrophobicContact CB-CD1 4.14Å; P751-L971 HydrophobicContact CB-CD2 3.99Å; P751-L971 HydrophobicContact CG-CD2 3.89Å; V949-L971 WeakPolarHBondContact O-CA 3.17Å; L959-L971 HydrophobicContact CD1-CB 4.21Å; L959-L971 HydrophobicContact CD1-CD1 3.79Å; L959-L971 HydrophobicContact CD2-CB 4Å; L959-L971 HydrophobicContact CG-CB 4.14Å; S963-L971 WeakPolarHBondContact OG-CB 3.42Å; S963-L971 PolarHBondContact OG-N 2.81Å; Y967-L971 HydrophobicContact CD2-CD1 3.43Å; Y967-L971 VanDerWaalsContact CD2-CD1 3.43Å; Y967-L971 HydrophobicContact CD2-CG 4.05Å; Y967-L971 HydrophobicContact CE2-CD1 3.97Å; Y967-L971 HydrophobicContact CG-CD1 3.9Å; Y967-L971 HydrophobicContact CG-CD2 4.22Å; Y967-L971 HydrophobicContact CG-CG 4.09Å
972	E	95.4	Very high	93.3	Very high	89 Å²	89	56.5 Å²	56.5	42%	0.416	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.9	177.9	-69.7	169.9	-151.6	0	0	111	V949 K950 N951 E970	V949-E972 HydrophobicContact CG1-CB 4.45Å; V949-E972 HydrophobicContact CG1-CG 4.03Å; V949-E972 PolarHBondContact O-N 3.28Å; K950-E972 HydrophobicContact CG-CB 4.2Å; K950-E972 WeakPolarHBondContact CG-OE2 3.38Å; K950-E972 IonicContact NZ-OE2 3.47Å; K950-E972 PolarHBondContact NZ-OE2 3.16Å; N951-E972 PolarHBondContact N-O 3.28Å; E970-E972 PolarHBondContact O-N 2.9Å
973	V	95.2	Very high	93.2	Very high	61 Å²	61	56.7 Å²	56.7	37%	0.37	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.7	174.3	-175	0	0	0	0	109.8	E956 L959	E956-V973 HydrophobicContact CB-CG2 3.78Å; E956-V973 HydrophobicContact CG-CG2 3.95Å; L959-V973 HydrophobicContact CD2-CG2 3.69Å
974	C	95.2	Very high	93	Very high	47 Å²	47	57.9 Å²	57.9	32%	0.318	30%	0.302	S	S	.	.			trans	-136.7	19.5	173.3	-68.8	0	0	0	0	111.5	K950 N951 Y952	K950-C974 HydrophobicContact CB-CB 4.14Å; N951-C974 CarbonylContact O-C 3.44Å; N951-C974 WeakPolarHBondContact O-CA 3.35Å; N951-C974 PolarHBondContact O-N 3.36Å; Y952-C974 HydrophobicContact CD1-CB 3.87Å; Y952-C974 VanDerWaalsContact CD1-O 3.24Å; Y952-C974 WeakPolarHBondContact CD1-O 3.45Å; Y952-C974 HydrophobicContact CE1-CB 3.74Å
975	A	93.1	Very high	92.7	Very high	8 Å²	8	55.9 Å²	55.9	7%	0.066	31%	0.311	C	S	.	.	S	Bend	trans	-70.9	150.3	177	0	0	0	0	0	111.5	N951 Y952 P977 V980	N951-A975 PolarHBondContact O-N 3.29Å; N951-A975 VanDerWaalsContact O-N 3.1Å; Y952-A975 VanDerWaalsContact C-CB 3.47Å; A975-P977 VanDerWaalsContact O-CD 3.27Å; A975-P977 WeakPolarHBondContact O-CD 3.45Å; A975-V980 HydrophobicContact CB-CG1 3.59Å; A975-V980 HydrophobicContact CB-CG2 4.48Å
976	D	94	Very high	92.8	Very high	83 Å²	83	54 Å²	54	44%	0.444	30%	0.301	S	S	.	.			trans	-59.2	117	178.6	-173.6	-28.6	0	0	0	110.7	T978 V979 V980	D976-T978 PolarHBondContact O-N 3.05Å; D976-T978 WeakPolarHBondContact OD1-CB 3.35Å; D976-T978 WeakPolarHBondContact OD1-CG2 3.49Å; D976-T978 PolarHBondContact OD1-N 3.07Å; D976-T978 PolarHBondContact OD1-OG1 3.4Å; D976-T978 PolarHBondContact OD2-OG1 3.39Å; D976-V979 HydrophobicContact CB-CB 4.42Å; D976-V979 HydrophobicContact CB-CG2 4.14Å; D976-V979 PolarHBondContact O-N 3.17Å; D976-V979 VanDerWaalsContact O-N 3.16Å; D976-V980 WeakPolarHBondContact O-CG2 3.37Å; D976-V980 PolarHBondContact O-N 3.02Å
977	P	93.2	Very high	92.6	Very high	87 Å²	87	57.4 Å²	57.4	57%	0.565	32%	0.318	S	S	*	.	H	α-helix	trans	-55.9	-35.1	179.1	-26.4	36	0	0	0	113.2	A975 V979 T981	A975-P977 VanDerWaalsContact O-CD 3.27Å; A975-P977 WeakPolarHBondContact O-CD 3.45Å; P977-V979 VanDerWaalsContact C-N 3.3Å; P977-V979 PolarHBondContact O-N 2.8Å; P977-T981 VanDerWaalsContact O-CB 3.23Å; P977-T981 WeakPolarHBondContact O-CB 3.48Å; P977-T981 VanDerWaalsContact O-CG2 3.26Å; P977-T981 WeakPolarHBondContact O-CG2 3.46Å; P977-T981 PolarHBondContact O-N 2.99Å; P977-T981 PolarHBondContact O-OG1 3.06Å
978	T	91.9	Very high	92.3	Very high	101 Å²	101	61.8 Å²	61.8	62%	0.62	34%	0.337	S	S	*	.	H	α-helix	trans	-62.2	-40.7	-179	66.8	0	0	0	0	111.3	D976	D976-T978 PolarHBondContact O-N 3.05Å; D976-T978 WeakPolarHBondContact OD1-CB 3.35Å; D976-T978 WeakPolarHBondContact OD1-CG2 3.49Å; D976-T978 PolarHBondContact OD1-N 3.07Å; D976-T978 PolarHBondContact OD1-OG1 3.4Å; D976-T978 PolarHBondContact OD2-OG1 3.39Å
979	V	92.8	Very high	92.2	Very high	55 Å²	55	57.5 Å²	57.5	33%	0.333	32%	0.317	S	S	.	.	H	α-helix	trans	-75.1	-51.9	178.2	-177.2	0	0	0	0	110.8	D976 P977 T981 S982 L1082 K1120 A1121	D976-V979 HydrophobicContact CB-CB 4.42Å; D976-V979 HydrophobicContact CB-CG2 4.14Å; D976-V979 PolarHBondContact O-N 3.17Å; D976-V979 VanDerWaalsContact O-N 3.16Å; P977-V979 VanDerWaalsContact C-N 3.3Å; P977-V979 PolarHBondContact O-N 2.8Å; V979-T981 PolarHBondContact O-N 3.07Å; V979-S982 WeakPolarHBondContact O-CB 3.45Å; V979-S982 PolarHBondContact O-N 2.86Å; V979-S982 PolarHBondContact O-OG 3.38Å; V979-L1082 HydrophobicContact CG1-CD1 3.85Å; V979-K1120 HydrophobicContact CG1-CB 4.29Å; V979-K1120 HydrophobicContact CG1-CD 4.15Å; V979-A1121 WeakPolarHBondContact O-CB 3.22Å
980	V	92.6	Very high	92.1	Very high	8 Å²	8	53.5 Å²	53.5	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-77.8	-18.6	-171.6	-55.4	0	0	0	0	114.3	H955 A975 D976	H955-V980 HydrophobicContact CB-CB 4.07Å; H955-V980 PolarHBondContact CD2-O 2.91Å; A975-V980 HydrophobicContact CB-CG1 3.59Å; A975-V980 HydrophobicContact CB-CG2 4.48Å; D976-V980 WeakPolarHBondContact O-CG2 3.37Å; D976-V980 PolarHBondContact O-N 3.02Å
981	T	92.3	Very high	91.9	Very high	66 Å²	66	57.7 Å²	57.7	41%	0.405	33%	0.334	S	S	.	.	H	α-helix	trans	-92.8	-12.8	175.2	68	0	0	0	0	114.1	P977 V979 L983 L984	P977-T981 VanDerWaalsContact O-CB 3.23Å; P977-T981 WeakPolarHBondContact O-CB 3.48Å; P977-T981 VanDerWaalsContact O-CG2 3.26Å; P977-T981 WeakPolarHBondContact O-CG2 3.46Å; P977-T981 PolarHBondContact O-N 2.99Å; P977-T981 PolarHBondContact O-OG1 3.06Å; V979-T981 PolarHBondContact O-N 3.07Å; T981-L983 PolarHBondContact O-N 3.03Å; T981-L984 HydrophobicContact CG2-CD1 3.8Å; T981-L984 WeakPolarHBondContact O-CB 3.48Å; T981-L984 WeakPolarHBondContact O-CG 3.44Å; T981-L984 PolarHBondContact O-N 3.21Å
982	S	92.2	Very high	91.6	Very high	51 Å²	51	62.4 Å²	62.4	36%	0.357	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-37.2	-173.9	57.1	0	0	0	0	115.4	V979	V979-S982 WeakPolarHBondContact O-CB 3.45Å; V979-S982 PolarHBondContact O-N 2.86Å; V979-S982 PolarHBondContact O-OG 3.38Å
983	L	92.2	Very high	91.4	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	2.8	-176.5	-62	177.3	0	0	0	114.5	T981 G985 W986 L989 V1038 L1082 V1083 A1121 L1122	T981-L983 PolarHBondContact O-N 3.03Å; L983-G985 PolarHBondContact O-N 3.33Å; L983-W986 WeakPolarHBondContact O-CB 3.48Å; L983-W986 PolarHBondContact O-N 3.03Å; L983-L989 VanDerWaalsContact O-CD1 3.32Å; L983-L989 WeakPolarHBondContact O-CD1 3.49Å; L983-V1038 HydrophobicContact CD1-CG2 4.18Å; L983-V1038 HydrophobicContact CD2-CG2 3.82Å; L983-L1082 HydrophobicContact CD1-CD2 4.26Å; L983-L1082 HydrophobicContact CD1-CG 4.3Å; L983-V1083 HydrophobicContact CD1-CG2 3.47Å; L983-V1083 VanDerWaalsContact CD1-CG2 3.47Å; L983-A1121 HydrophobicContact CD1-CB 4.25Å; L983-A1121 HydrophobicContact CG-CB 4.43Å; L983-L1122 HydrophobicContact CB-CB 4.47Å; L983-L1122 HydrophobicContact CD1-CB 3.73Å; L983-L1122 HydrophobicContact CD1-CD2 4.05Å
984	L	91	Very high	91.3	Very high	32 Å²	32	59.5 Å²	59.5	17%	0.168	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.6	-176.9	-65.5	-177.6	0	0	0	114.6	T981 L989 G993 P995	T981-L984 HydrophobicContact CG2-CD1 3.8Å; T981-L984 WeakPolarHBondContact O-CB 3.48Å; T981-L984 WeakPolarHBondContact O-CG 3.44Å; T981-L984 PolarHBondContact O-N 3.21Å; L984-L989 WeakPolarHBondContact O-CD1 3.38Å; L984-G993 PolarHBondContact O-N 3.46Å; L984-P995 HydrophobicContact CD2-CB 3.81Å; L984-P995 HydrophobicContact CD2-CG 3.77Å
985	G	86.5	Confident	91.3	Very high	55 Å²	55	57.3 Å²	57.3	57%	0.567	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-20.3	172.7	0	0	0	0	0	114	L983 E987 K992	L983-G985 PolarHBondContact O-N 3.33Å; G985-E987 PolarHBondContact O-N 2.84Å; G985-K992 PolarHBondContact O-NZ 2.99Å
986	W	91.6	Very high	91.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.333	C	S	.	.			trans	-48.4	129.4	-163.5	-179.8	54.9	0	0	0	112.4	L983 K988 L989 K992 I997 Y1026 L1029 L1030 S1033 L1122 I1124	L983-W986 WeakPolarHBondContact O-CB 3.48Å; L983-W986 PolarHBondContact O-N 3.03Å; W986-K988 HydrophobicContact CD2-CB 4.3Å; W986-K988 HydrophobicContact CE3-CB 4.22Å; W986-K988 HydrophobicContact CH2-CB 3.99Å; W986-K988 HydrophobicContact CH2-CG 4.35Å; W986-K988 HydrophobicContact CZ2-CB 4.04Å; W986-K988 HydrophobicContact CZ2-CG 3.95Å; W986-K988 HydrophobicContact CZ3-CB 4.07Å; W986-K988 PolarHBondContact O-N 3.39Å; W986-L989 HydrophobicContact CB-CG 4.36Å; W986-L989 HydrophobicContact CE3-CD2 4.25Å; W986-L989 HydrophobicContact CE3-CG 4.2Å; W986-L989 PolarHBondContact O-N 3.49Å; W986-L989 VanDerWaalsContact O-N 3.08Å; W986-K992 PolarHBondContact O-NZ 3.37Å; W986-I997 HydrophobicContact CZ3-CD1 3.83Å; W986-Y1026 HydrophobicContact CH2-CD1 4.12Å; W986-Y1026 HydrophobicContact CH2-CE1 4.46Å; W986-L1029 HydrophobicContact CZ2-CB 4.06Å; W986-L1029 WeakPolarHBondContact CZ2-O 3.49Å; W986-L1029 PolarHBondContact NE1-O 3.07Å; W986-L1030 HydrophobicContact CD2-CD2 4.23Å; W986-L1030 HydrophobicContact CE3-CD2 4.4Å; W986-L1030 HydrophobicContact CH2-CD2 3.72Å; W986-L1030 HydrophobicContact CH2-CG 4.01Å; W986-L1030 HydrophobicContact CZ2-CD2 3.5Å; W986-L1030 HydrophobicContact CZ2-CG 3.82Å; W986-L1030 HydrophobicContact CZ3-CD2 4.17Å; W986-S1033 PolarHBondContact NE1-OG 3.15Å; W986-L1122 HydrophobicContact CE3-CD2 3.84Å; W986-L1122 HydrophobicContact CZ3-CD2 3.78Å; W986-I1124 HydrophobicContact CH2-CD1 4.31Å; W986-I1124 HydrophobicContact CZ3-CD1 4.27Å
987	E	88.5	Confident	91.5	Very high	99 Å²	99	54.2 Å²	54.2	46%	0.463	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-36.6	-163.7	50.9	167.3	-107.8	0	0	113.8	G985 L989 K992	G985-E987 PolarHBondContact O-N 2.84Å; E987-L989 PolarHBondContact O-N 3.13Å; E987-K992 VanDerWaalsContact CA-NZ 3.27Å; E987-K992 PolarHBondContact O-NZ 3.46Å; E987-K992 VanDerWaalsContact O-NZ 3.15Å
988	K	88.7	Confident	91.5	Very high	93 Å²	93	52.5 Å²	52.5	40%	0.404	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2	-176.3	-49.9	-50.1	-167.2	-160	0	115.6	W986 P990 L1029	W986-K988 HydrophobicContact CD2-CB 4.3Å; W986-K988 HydrophobicContact CE3-CB 4.22Å; W986-K988 HydrophobicContact CH2-CB 3.99Å; W986-K988 HydrophobicContact CH2-CG 4.35Å; W986-K988 HydrophobicContact CZ2-CB 4.04Å; W986-K988 HydrophobicContact CZ2-CG 3.95Å; W986-K988 HydrophobicContact CZ3-CB 4.07Å; W986-K988 PolarHBondContact O-N 3.39Å; K988-P990 WeakPolarHBondContact O-CD 3.31Å; K988-L1029 HydrophobicContact CG-CD1 4.43Å
989	L	91	Very high	91.6	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.047	28%	0.279	C	S	.	.			trans	-64.1	124.9	176.3	-75.1	179.9	0	0	0	111.7	L983 L984 W986 E987 K991 I997 L1122	L983-L989 VanDerWaalsContact O-CD1 3.32Å; L983-L989 WeakPolarHBondContact O-CD1 3.49Å; L984-L989 WeakPolarHBondContact O-CD1 3.38Å; W986-L989 HydrophobicContact CB-CG 4.36Å; W986-L989 HydrophobicContact CE3-CD2 4.25Å; W986-L989 HydrophobicContact CE3-CG 4.2Å; W986-L989 PolarHBondContact O-N 3.49Å; W986-L989 VanDerWaalsContact O-N 3.08Å; E987-L989 PolarHBondContact O-N 3.13Å; L989-K991 PolarHBondContact O-N 2.79Å; L989-I997 HydrophobicContact CD2-CD1 4.15Å; L989-I997 HydrophobicContact CD2-CG1 4.07Å; L989-L1122 HydrophobicContact CD2-CD1 3.86Å
990	P	89	Confident	91.5	Very high	110 Å²	110	49.5 Å²	49.5	71%	0.714	28%	0.284	S	S	*	.	S	Bend	trans	-61.9	-27.2	177.5	-23.9	34.3	0	0	0	113.9	K988	K988-P990 WeakPolarHBondContact O-CD 3.31Å
991	K	89.6	Confident	91.3	Very high	138 Å²	138	49.5 Å²	49.5	60%	0.6	28%	0.284	S	S	*	.	S	Bend	trans	-135.3	119.6	173	177.3	-179.1	174.7	-173.5	0	108.3	L989 F994	L989-K991 PolarHBondContact O-N 2.79Å; K991-F994 HydrophobicContact CB-CB 4.05Å; K991-F994 HydrophobicContact CD-CB 3.97Å; K991-F994 HydrophobicContact CD-CG 4.37Å; K991-F994 HydrophobicContact CG-CB 3.99Å; K991-F994 PolarHBondContact O-N 3.38Å
992	K	88.5	Confident	91.1	Very high	113 Å²	113	48.1 Å²	48.1	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	143	175	-59.9	-61.4	176.4	-179.7	0	110.4	G985 W986 E987 F994	G985-K992 PolarHBondContact O-NZ 2.99Å; W986-K992 PolarHBondContact O-NZ 3.37Å; E987-K992 VanDerWaalsContact CA-NZ 3.27Å; E987-K992 PolarHBondContact O-NZ 3.46Å; E987-K992 VanDerWaalsContact O-NZ 3.15Å; K992-F994 PolarHBondContact O-N 3.39Å
993	G	89.8	Confident	90.7	Very high	41 Å²	41	45.7 Å²	45.7	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	7.7	-173.4	0	0	0	0	0	115.3	L984	L984-G993 PolarHBondContact O-N 3.46Å
994	F	94.3	Very high	90.4	Very high	49 Å²	49	47.6 Å²	47.6	22%	0.215	27%	0.268	C	S	.	.			trans	-123.6	99.7	177.5	-164.9	-110.3	0	0	0	111.2	A957 K991 K992 L996	A957-F994 HydrophobicContact CB-CD2 3.94Å; A957-F994 HydrophobicContact CB-CE2 3.79Å; K991-F994 HydrophobicContact CB-CB 4.05Å; K991-F994 HydrophobicContact CD-CB 3.97Å; K991-F994 HydrophobicContact CD-CG 4.37Å; K991-F994 HydrophobicContact CG-CB 3.99Å; K991-F994 PolarHBondContact O-N 3.38Å; K992-F994 PolarHBondContact O-N 3.39Å; F994-L996 HydrophobicContact CD1-CB 4.21Å; F994-L996 HydrophobicContact CE1-CB 3.83Å; F994-L996 HydrophobicContact CE1-CD2 4.33Å; F994-L996 HydrophobicContact CZ-CB 4.36Å; F994-L996 PolarHBondContact O-N 3.41Å
995	P	94.7	Very high	90.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.			trans	-80.2	35.1	-170.8	31.1	-33.6	0	0	0	114.4	H955 A957 L958 L984 A1121 L1122 L1123	H955-P995 HydrophobicContact CB-CG 3.89Å; H955-P995 WeakPolarHBondContact ND1-CG 3.27Å; A957-P995 HydrophobicContact CB-CG 4.26Å; L958-P995 HydrophobicContact CD1-CG 4.48Å; L958-P995 HydrophobicContact CG-CG 4.22Å; L984-P995 HydrophobicContact CD2-CB 3.81Å; L984-P995 HydrophobicContact CD2-CG 3.77Å; P995-A1121 WeakPolarHBondContact CB-O 3.4Å; P995-L1122 WeakPolarHBondContact O-CD1 3.41Å; P995-L1123 PolarHBondContact O-N 2.79Å
996	L	95.3	Very high	90.1	Very high	21 Å²	21	46.2 Å²	46.2	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129	178.2	-172	150.3	0	0	0	110.3	L958 F994 L1123	L958-L996 HydrophobicContact CD2-CB 4.19Å; L958-L996 HydrophobicContact CD2-CD1 4.22Å; F994-L996 HydrophobicContact CD1-CB 4.21Å; F994-L996 HydrophobicContact CE1-CB 3.83Å; F994-L996 HydrophobicContact CE1-CD2 4.33Å; F994-L996 HydrophobicContact CZ-CB 4.36Å; F994-L996 PolarHBondContact O-N 3.41Å; L996-L1123 CarbonylContact C-O 3.57Å; L996-L1123 WeakPolarHBondContact CA-O 3.46Å; L996-L1123 HydrophobicContact CD1-CD2 4.18Å
997	I	95.4	Very high	89.7	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.9	171.7	-54.7	-175.9	0	0	0	108.5	W986 L989 Y1026 L1123 I1124 V1125	W986-I997 HydrophobicContact CZ3-CD1 3.83Å; L989-I997 HydrophobicContact CD2-CD1 4.15Å; L989-I997 HydrophobicContact CD2-CG1 4.07Å; I997-Y1026 HydrophobicContact CD1-CE1 4.32Å; I997-L1123 PolarHBondContact N-O 2.87Å; I997-I1124 HydrophobicContact CB-CG1 4.31Å; I997-I1124 HydrophobicContact CB-CG2 4.34Å; I997-I1124 HydrophobicContact CD1-CD1 4.43Å; I997-I1124 HydrophobicContact CD1-CG1 4.35Å; I997-I1124 CarbonylContact O-C 3.55Å; I997-I1124 WeakPolarHBondContact O-CA 3.43Å; I997-V1125 PolarHBondContact O-N 3.23Å
998	F	93.9	Very high	89.3	Confident	50 Å²	50	45.4 Å²	45.4	22%	0.219	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.7	159.2	179.1	-99.2	0	0	0	109.6	V1125 P1129 L1132 I1162	F998-V1125 HydrophobicContact CD2-CB 4.08Å; F998-V1125 HydrophobicContact CD2-CG1 4.02Å; F998-V1125 HydrophobicContact CE2-CG1 4.28Å; F998-P1129 HydrophobicContact CE1-CB 3.86Å; F998-P1129 HydrophobicContact CE1-CG 4.21Å; F998-P1129 HydrophobicContact CZ-CB 3.98Å; F998-P1129 HydrophobicContact CZ-CG 4.45Å; F998-L1132 HydrophobicContact CE2-CD1 3.71Å; F998-L1132 HydrophobicContact CZ-CD1 3.88Å; F998-I1162 HydrophobicContact CB-CG2 4.03Å; F998-I1162 HydrophobicContact CD2-CG2 3.52Å; F998-I1162 HydrophobicContact CE2-CG2 4.36Å; F998-I1162 HydrophobicContact CG-CG2 4.02Å
999	H	93.7	Very high	88.6	Confident	51 Å²	51	41.4 Å²	41.4	24%	0.236	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	108.8	175.4	-164.9	135.7	0	0	0	108.9	V1001 Q1022 Y1026 V1125 L1126 G1127	H999-V1001 PolarHBondContact O-N 3.36Å; H999-V1001 VanDerWaalsContact O-N 3.14Å; H999-Q1022 VanDerWaalsContact CE1-CD 3.47Å; H999-Y1026 HydrophobicContact CB-CE2 4.21Å; H999-Y1026 AromaticContact ND1-CE2 3.53Å; H999-Y1026 AromaticContact ND1-CZ 3.62Å; H999-Y1026 PolarHBondContact ND1-OH 3.13Å; H999-V1125 PolarHBondContact N-O 3.44Å; H999-L1126 HydrophobicContact CB-CD2 3.63Å; H999-G1127 PolarHBondContact O-N 2.81Å
1000	G	91.4	Very high	87.6	Confident	43 Å²	43	48.8 Å²	48.8	44%	0.443	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	102.3	178.2	0	0	0	0	0	111.8	G1127	G1000-G1127 CarbonylContact C-O 3.6Å; G1000-G1127 WeakPolarHBondContact CA-O 3.43Å
1001	V	88.7	Confident	86.7	Confident	8 Å²	8	45.3 Å²	45.3	5%	0.048	24%	0.239	C	C	.	.			trans	-108.8	110.8	178.3	-176.2	0	0	0	0	109.3	H999 G1003 A1018 E1019 Q1022 G1127 N1128	H999-V1001 PolarHBondContact O-N 3.36Å; H999-V1001 VanDerWaalsContact O-N 3.14Å; V1001-G1003 VanDerWaalsContact C-N 3.29Å; V1001-G1003 PolarHBondContact O-N 3.38Å; V1001-G1003 VanDerWaalsContact O-N 3.15Å; V1001-A1018 HydrophobicContact CG1-CB 4.08Å; V1001-E1019 HydrophobicContact CB-CG 3.92Å; V1001-E1019 HydrophobicContact CG1-CG 3.87Å; V1001-E1019 HydrophobicContact CG2-CG 4.46Å; V1001-Q1022 HydrophobicContact CG2-CB 4.42Å; V1001-Q1022 HydrophobicContact CG2-CG 4.26Å; V1001-G1127 PolarHBondContact N-O 2.88Å; V1001-G1127 CarbonylContact O-C 3.54Å; V1001-G1127 VanDerWaalsContact O-C 3.28Å; V1001-N1128 WeakPolarHBondContact O-CA 3.24Å; V1001-N1128 PolarHBondContact O-N 3.15Å
1002	R	87.3	Confident	85.9	Confident	36 Å²	36	42.8 Å²	42.8	14%	0.136	24%	0.237	C	C	.	.			trans	-85.4	68.1	172.9	-73	176.4	176.3	-112	22.3	109.8	R404 E1093 H1130	R404-R1002 HydrophobicContact CB-CB 4.37Å; R404-R1002 WeakPolarHBondContact CB-O 3.22Å; R404-R1002 PolarHBondContact N-O 3.02Å; R404-R1002 WeakPolarHBondContact O-CB 3.43Å; R404-R1002 WeakPolarHBondContact O-CD 3.44Å; R1002-E1093 IonicContact CZ-OE1 3.82Å; R1002-E1093 IonicContact CZ-OE2 3.57Å; R1002-E1093 IonicContact NH1-OE1 2.74Å; R1002-E1093 PolarHBondContact NH1-OE1 2.88Å; R1002-E1093 IonicContact NH1-OE2 3Å; R1002-E1093 PolarHBondContact NH1-OE2 3Å; R1002-H1130 VanDerWaalsContact CZ-NE2 3.34Å; R1002-H1130 PolarHBondContact NE-CD2 2.98Å; R1002-H1130 VanDerWaalsContact NE-CD2 3.32Å; R1002-H1130 PolarHBondContact NE-NE2 3.25Å; R1002-H1130 PolarHBondContact NH2-CD2 3.34Å; R1002-H1130 VanDerWaalsContact NH2-CD2 3.31Å; R1002-H1130 PolarHBondContact NH2-NE2 2.98Å
1003	G	84.2	Confident	85.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.			trans	-73.7	-170.4	-173.4	0	0	0	0	0	114.8	R404 V1001 N1016 S1091	R404-G1003 PolarHBondContact NE-O 3Å; R404-G1003 VanDerWaalsContact NE-O 3.16Å; R404-G1003 PolarHBondContact NH2-O 2.91Å; V1001-G1003 VanDerWaalsContact C-N 3.29Å; V1001-G1003 PolarHBondContact O-N 3.38Å; V1001-G1003 VanDerWaalsContact O-N 3.15Å; G1003-N1016 WeakPolarHBondContact CA-OD1 3.25Å; G1003-S1091 PolarHBondContact N-OG 2.96Å; G1003-S1091 VanDerWaalsContact N-OG 3.14Å; G1003-S1091 WeakPolarHBondContact O-CB 3.44Å
1004	S	84.8	Confident	85.4	Confident	45 Å²	45	39.1 Å²	39.1	32%	0.315	21%	0.21	S	C	.	.			trans	-120.7	118.6	174	-70.7	0	0	0	0	108.8	R404 N1016 P1017	R404-S1004 PolarHBondContact NE-OG 3.09Å; S1004-N1016 PolarHBondContact N-OD1 3.22Å; S1004-P1017 WeakPolarHBondContact O-CD 3.34Å
1005	E	85.4	Confident	85.2	Confident	31 Å²	31	36.8 Å²	36.8	15%	0.145	20%	0.2	C	C	.	.			trans	-87.3	128.4	-176.8	59.5	-174.6	-129.2	0	0	111.6	W1014 F1015 R1090 S1091 N1092	E1005-W1014 HydrophobicContact CB-CE3 4.02Å; E1005-W1014 HydrophobicContact CB-CZ3 4.42Å; E1005-W1014 HydrophobicContact CG-CE3 4.17Å; E1005-W1014 HydrophobicContact CG-CZ3 4.12Å; E1005-F1015 WeakPolarHBondContact CA-O 3.38Å; E1005-R1090 IonicContact OE1-CZ 2.71Å; E1005-R1090 IonicContact OE1-NE 2.76Å; E1005-R1090 PolarHBondContact OE1-NE 3.31Å; E1005-R1090 VanDerWaalsContact OE1-NE 3.11Å; E1005-R1090 IonicContact OE1-NH2 2.67Å; E1005-R1090 PolarHBondContact OE1-NH2 2.83Å; E1005-R1090 VanDerWaalsContact OE2-CA 3.29Å; E1005-R1090 WeakPolarHBondContact OE2-CA 3.44Å; E1005-R1090 IonicContact OE2-CZ 2.99Å; E1005-R1090 IonicContact OE2-NE 3.72Å; E1005-R1090 PolarHBondContact OE2-NE 3.34Å; E1005-R1090 IonicContact OE2-NH2 2.75Å; E1005-S1091 PolarHBondContact OE2-N 3.43Å; E1005-N1092 HydrophobicContact CG-CB 4.4Å; E1005-N1092 PolarHBondContact OE2-N 3.3Å; E1005-N1092 VanDerWaalsContact OE2-N 3.14Å
1006	A	85.7	Confident	85.2	Confident	28 Å²	28	36.8 Å²	36.8	23%	0.231	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-130.7	164.3	-174.1	0	0	0	0	0	112.1	W1014 F1015	A1006-W1014 CarbonylContact O-C 3.6Å; A1006-W1014 VanDerWaalsContact O-CA 3.27Å; A1006-W1014 WeakPolarHBondContact O-CA 3.46Å; A1006-F1015 HydrophobicContact CB-CD1 4.21Å; A1006-F1015 HydrophobicContact CB-CE1 3.77Å; A1006-F1015 HydrophobicContact CB-CE2 4.19Å; A1006-F1015 HydrophobicContact CB-CZ 3.76Å; A1006-F1015 PolarHBondContact N-O 2.94Å; A1006-F1015 VanDerWaalsContact O-CD1 3.29Å; A1006-F1015 WeakPolarHBondContact O-CD1 3.45Å; A1006-F1015 PolarHBondContact O-N 3.23Å
1007	R	83.1	Confident	85.1	Confident	67 Å²	67	36.6 Å²	36.6	25%	0.253	20%	0.2	S	C	.	.			trans	-138.5	150.2	168.8	-75.1	176.8	-71.7	155.6	1.2	107.6	F440 P1012 W1014	F440-R1007 HydrophobicContact CB-CB 3.79Å; F440-R1007 HydrophobicContact CD2-CB 4.05Å; F440-R1007 HydrophobicContact CG-CB 4Å; R1007-P1012 WeakPolarHBondContact CD-O 3.31Å; R1007-W1014 HydrophobicContact CG-CD2 3.74Å; R1007-W1014 HydrophobicContact CG-CE3 3.73Å; R1007-W1014 HydrophobicContact CG-CG 4.13Å; R1007-W1014 HydrophobicContact CG-CZ3 4.22Å; R1007-W1014 VanDerWaalsContact NE-CH2 3.33Å; R1007-W1014 VanDerWaalsContact NE-CZ2 3.26Å
1008	E	79.9	Confident	84.9	Confident	15 Å²	15	36.3 Å²	36.3	7%	0.07	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-134.1	149	-179.4	67.4	175.1	-159	0	0	113.6	A436 R437 E438 K1010 S1011 F1015 K1051 K1055	A436-E1008 VanDerWaalsContact CA-OE2 3.25Å; A436-E1008 WeakPolarHBondContact CA-OE2 3.28Å; A436-E1008 HydrophobicContact CB-CB 4.14Å; R437-E1008 PolarHBondContact N-OE2 2.71Å; E438-E1008 WeakPolarHBondContact O-CA 3.5Å; E438-E1008 VanDerWaalsContact O-CB 3.3Å; E438-E1008 WeakPolarHBondContact O-CB 3.47Å; E1008-K1010 PolarHBondContact O-N 3.43Å; E1008-S1011 PolarHBondContact O-N 3.35Å; E1008-S1011 VanDerWaalsContact O-N 3.12Å; E1008-F1015 HydrophobicContact CB-CE1 4.19Å; E1008-F1015 HydrophobicContact CG-CE1 4.07Å; E1008-K1051 VanDerWaalsContact CD-CE 3.5Å; E1008-K1051 HydrophobicContact CG-CD 4.33Å; E1008-K1051 WeakPolarHBondContact OE1-CE 3.17Å; E1008-K1051 IonicContact OE1-NZ 3.48Å; E1008-K1051 PolarHBondContact OE1-NZ 2.65Å; E1008-K1055 IonicContact OE1-NZ 2.72Å; E1008-K1055 PolarHBondContact OE1-NZ 3.13Å; E1008-K1055 VanDerWaalsContact OE1-NZ 3.13Å; E1008-K1055 IonicContact OE2-NZ 2.74Å; E1008-K1055 PolarHBondContact OE2-NZ 2.84Å
1009	G	75.3	Confident	84.9	Confident	8 Å²	8	34 Å²	34	8%	0.082	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-126.6	178	0	0	0	0	0	112.5	E438 F440 S441	E438-G1009 PolarHBondContact O-N 3.31Å; E438-G1009 WeakPolarHBondContact OE2-CA 3.47Å; F440-G1009 CarbonylContact C-O 3.59Å; F440-G1009 VanDerWaalsContact CA-O 3.31Å; F440-G1009 WeakPolarHBondContact CA-O 3.15Å; S441-G1009 PolarHBondContact N-O 2.79Å
1010	K	68.9	Low	85	Confident	164 Å²	164	31.5 Å²	31.5	71%	0.713	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	2.8	-178.2	-62.9	160.6	-170.2	161	0	113.6	E1008	E1008-K1010 PolarHBondContact O-N 3.43Å
1011	S	70.9	Confident	85.1	Confident	37 Å²	37	29.5 Å²	29.5	26%	0.259	16%	0.156	S	C	.	.			trans	-88.1	121.1	-172.4	-172.1	0	0	0	0	112.5	F440 E1008 S1013	F440-S1011 WeakPolarHBondContact CD2-O 3.41Å; F440-S1011 WeakPolarHBondContact CE2-O 3.4Å; E1008-S1011 PolarHBondContact O-N 3.35Å; E1008-S1011 VanDerWaalsContact O-N 3.12Å; S1011-S1013 PolarHBondContact O-N 3.38Å; S1011-S1013 PolarHBondContact OG-N 3.28Å
1012	P	72.9	Confident	85.4	Confident	86 Å²	86	30.1 Å²	30.1	56%	0.558	16%	0.158	S	C	*	.			trans	-75.1	-6.9	175.9	32.4	-36.1	0	0	0	113.1	F440 R1007	F440-P1012 HydrophobicContact CE2-CB 4.46Å; R1007-P1012 WeakPolarHBondContact CD-O 3.31Å
1013	S	81.3	Confident	85.8	Confident	19 Å²	19	28.4 Å²	28.4	13%	0.133	15%	0.152	C	C	.	.			trans	-78.8	126.7	-177.6	176.6	0	0	0	0	111.6	S1011 Y1049 R1050 K1051	S1011-S1013 PolarHBondContact O-N 3.38Å; S1011-S1013 PolarHBondContact OG-N 3.28Å; S1013-Y1049 WeakPolarHBondContact OG-CB 3.38Å; S1013-R1050 PolarHBondContact OG-N 3.19Å; S1013-K1051 WeakPolarHBondContact O-CB 3.35Å; S1013-K1051 WeakPolarHBondContact OG-CB 3.31Å; S1013-K1051 PolarHBondContact OG-N 3.32Å
1014	W	86.2	Confident	86.3	Confident	58 Å²	58	29.1 Å²	29.1	22%	0.22	16%	0.156	C	C	.	.			trans	-69.6	156.9	174.7	-62.3	93.9	0	0	0	112.8	E1005 A1006 R1007 Y1049 V1089	E1005-W1014 HydrophobicContact CB-CE3 4.02Å; E1005-W1014 HydrophobicContact CB-CZ3 4.42Å; E1005-W1014 HydrophobicContact CG-CE3 4.17Å; E1005-W1014 HydrophobicContact CG-CZ3 4.12Å; A1006-W1014 CarbonylContact O-C 3.6Å; A1006-W1014 VanDerWaalsContact O-CA 3.27Å; A1006-W1014 WeakPolarHBondContact O-CA 3.46Å; R1007-W1014 HydrophobicContact CG-CD2 3.74Å; R1007-W1014 HydrophobicContact CG-CE3 3.73Å; R1007-W1014 HydrophobicContact CG-CG 4.13Å; R1007-W1014 HydrophobicContact CG-CZ3 4.22Å; R1007-W1014 VanDerWaalsContact NE-CH2 3.33Å; R1007-W1014 VanDerWaalsContact NE-CZ2 3.26Å; W1014-Y1049 HydrophobicContact CB-CD1 4.05Å; W1014-Y1049 HydrophobicContact CB-CE1 4.18Å; W1014-Y1049 HydrophobicContact CB-CG 4.27Å; W1014-Y1049 AromaticContact CD1-CE1 3.78Å; W1014-Y1049 HydrophobicContact CG-CE1 4.38Å; W1014-Y1049 WeakPolarHBondContact O-CB 3.04Å; W1014-V1089 HydrophobicContact CB-CG1 4.29Å
1015	F	91.2	Very high	86.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-145.1	162.7	166.6	69.1	-79.4	0	0	0	110.2	I434 A436 E1005 A1006 E1008 P1017 K1051 Q1052 K1055	I434-F1015 WeakPolarHBondContact O-CE2 3.3Å; A436-F1015 HydrophobicContact CB-CZ 4.08Å; E1005-F1015 WeakPolarHBondContact CA-O 3.38Å; A1006-F1015 HydrophobicContact CB-CD1 4.21Å; A1006-F1015 HydrophobicContact CB-CE1 3.77Å; A1006-F1015 HydrophobicContact CB-CE2 4.19Å; A1006-F1015 HydrophobicContact CB-CZ 3.76Å; A1006-F1015 PolarHBondContact N-O 2.94Å; A1006-F1015 VanDerWaalsContact O-CD1 3.29Å; A1006-F1015 WeakPolarHBondContact O-CD1 3.45Å; A1006-F1015 PolarHBondContact O-N 3.23Å; E1008-F1015 HydrophobicContact CB-CE1 4.19Å; E1008-F1015 HydrophobicContact CG-CE1 4.07Å; F1015-P1017 HydrophobicContact CD2-CG 3.96Å; F1015-P1017 HydrophobicContact CE2-CG 3.81Å; F1015-K1051 HydrophobicContact CB-CB 4.18Å; F1015-K1051 HydrophobicContact CB-CG 4.07Å; F1015-K1051 HydrophobicContact CD1-CB 4.42Å; F1015-K1051 HydrophobicContact CD1-CG 3.63Å; F1015-K1051 HydrophobicContact CE1-CG 4.33Å; F1015-K1051 HydrophobicContact CG-CG 4.08Å; F1015-Q1052 HydrophobicContact CB-CB 4.48Å; F1015-K1055 HydrophobicContact CB-CG 4.38Å; F1015-K1055 HydrophobicContact CD2-CD 4.49Å; F1015-K1055 HydrophobicContact CD2-CG 3.82Å; F1015-K1055 HydrophobicContact CE2-CD 4.48Å; F1015-K1055 HydrophobicContact CE2-CG 4.3Å; F1015-K1055 HydrophobicContact CG-CG 4.2Å
1016	N	93.1	Very high	87.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.			trans	-138.9	101	-177.9	177.8	-5.3	0	0	0	108.7	G1003 S1004 A1018 E1019 A1020 Q1052 V1089 S1091	G1003-N1016 WeakPolarHBondContact CA-OD1 3.25Å; S1004-N1016 PolarHBondContact N-OD1 3.22Å; N1016-A1018 PolarHBondContact O-N 3.44Å; N1016-A1018 PolarHBondContact OD1-N 3.23Å; N1016-E1019 HydrophobicContact CB-CB 4.18Å; N1016-E1019 WeakPolarHBondContact ND2-CG 3.34Å; N1016-E1019 PolarHBondContact ND2-OE1 3.02Å; N1016-E1019 PolarHBondContact O-N 3.3Å; N1016-E1019 PolarHBondContact OD1-N 3.22Å; N1016-A1020 PolarHBondContact O-N 3.25Å; N1016-Q1052 PolarHBondContact O-NE2 3.11Å; N1016-Q1052 PolarHBondContact O-OE1 3.39Å; N1016-V1089 HydrophobicContact CB-CB 4.36Å; N1016-V1089 HydrophobicContact CB-CG1 3.76Å; N1016-V1089 WeakPolarHBondContact CB-O 3.3Å; N1016-V1089 PolarHBondContact ND2-O 3.01Å; N1016-V1089 VanDerWaalsContact ND2-O 3.07Å; N1016-S1091 PolarHBondContact ND2-OG 3.08Å; N1016-S1091 VanDerWaalsContact ND2-OG 3.17Å
1017	P	93	Very high	87.7	Confident	16 Å²	16	28.1 Å²	28.1	10%	0.104	14%	0.138	C	C	.	.	H	α-helix	trans	-56.8	-45.4	-175.7	-30	38.3	0	0	0	114.4	E431 I434 S1004 F1015 E1019 A1020 V1021	E431-P1017 HydrophobicContact CB-CB 4.12Å; E431-P1017 HydrophobicContact CG-CB 3.65Å; I434-P1017 HydrophobicContact CD1-CB 3.96Å; I434-P1017 HydrophobicContact CG1-CB 4.25Å; S1004-P1017 WeakPolarHBondContact O-CD 3.34Å; F1015-P1017 HydrophobicContact CD2-CG 3.96Å; F1015-P1017 HydrophobicContact CE2-CG 3.81Å; P1017-E1019 VanDerWaalsContact C-N 3.34Å; P1017-E1019 PolarHBondContact O-N 2.95Å; P1017-A1020 PolarHBondContact O-N 3.08Å; P1017-A1020 VanDerWaalsContact O-N 3.07Å; P1017-V1021 PolarHBondContact O-N 2.96Å
1018	A	91.6	Very high	88.2	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-39.5	-179.8	0	0	0	0	0	112.5	V1001 N1016 Q1022	V1001-A1018 HydrophobicContact CG1-CB 4.08Å; N1016-A1018 PolarHBondContact O-N 3.44Å; N1016-A1018 PolarHBondContact OD1-N 3.23Å; A1018-Q1022 WeakPolarHBondContact O-CB 3.25Å; A1018-Q1022 PolarHBondContact O-N 3.1Å
1019	E	94.6	Very high	88.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-41	171.5	-87.2	-175.3	-119.5	0	0	112.2	V1001 N1016 P1017 Q1022 V1023 S1087 T1088 V1089 L1126	V1001-E1019 HydrophobicContact CB-CG 3.92Å; V1001-E1019 HydrophobicContact CG1-CG 3.87Å; V1001-E1019 HydrophobicContact CG2-CG 4.46Å; N1016-E1019 HydrophobicContact CB-CB 4.18Å; N1016-E1019 WeakPolarHBondContact ND2-CG 3.34Å; N1016-E1019 PolarHBondContact ND2-OE1 3.02Å; N1016-E1019 PolarHBondContact O-N 3.3Å; N1016-E1019 PolarHBondContact OD1-N 3.22Å; P1017-E1019 VanDerWaalsContact C-N 3.34Å; P1017-E1019 PolarHBondContact O-N 2.95Å; E1019-Q1022 CarbonylContact O-C 3.54Å; E1019-Q1022 PolarHBondContact O-N 3.4Å; E1019-V1023 WeakPolarHBondContact O-CG2 3.43Å; E1019-V1023 PolarHBondContact O-N 3.08Å; E1019-S1087 WeakPolarHBondContact OE2-CA 3.46Å; E1019-S1087 WeakPolarHBondContact OE2-CB 3.47Å; E1019-S1087 PolarHBondContact OE2-OG 3.45Å; E1019-T1088 PolarHBondContact OE2-N 3.37Å; E1019-V1089 VanDerWaalsContact CD-N 3.3Å; E1019-V1089 WeakPolarHBondContact OE1-CA 3.42Å; E1019-V1089 PolarHBondContact OE1-N 3.46Å; E1019-V1089 PolarHBondContact OE2-N 3.08Å; E1019-L1126 HydrophobicContact CG-CB 4.27Å
1020	A	94.8	Very high	89.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-40.1	-179.2	0	0	0	0	0	112.2	I434 N1016 P1017 Q1022 V1023 L1024 I1056 L1059	I434-A1020 HydrophobicContact CD1-CB 3.66Å; N1016-A1020 PolarHBondContact O-N 3.25Å; P1017-A1020 PolarHBondContact O-N 3.08Å; P1017-A1020 VanDerWaalsContact O-N 3.07Å; A1020-Q1022 VanDerWaalsContact C-N 3.35Å; A1020-V1023 WeakPolarHBondContact O-CB 3.2Å; A1020-V1023 PolarHBondContact O-N 3.07Å; A1020-L1024 PolarHBondContact O-N 2.97Å; A1020-I1056 HydrophobicContact CB-CD1 4.47Å; A1020-I1056 HydrophobicContact CB-CG1 3.7Å; A1020-L1059 HydrophobicContact CB-CD1 4.1Å; A1020-L1059 WeakPolarHBondContact O-CD1 3.2Å
1021	V	94.2	Very high	90.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.3	-36.2	172.5	173.1	0	0	0	0	111.3	E430 E431 I434 P1017 V1023 L1024 R1025 L1059	E430-V1021 HydrophobicContact CB-CB 4.39Å; E430-V1021 HydrophobicContact CB-CG1 3.87Å; E430-V1021 HydrophobicContact CB-CG2 3.58Å; E430-V1021 HydrophobicContact CG-CG1 4.31Å; E431-V1021 HydrophobicContact CB-CG2 4.47Å; E431-V1021 HydrophobicContact CG-CB 4.46Å; E431-V1021 HydrophobicContact CG-CG2 3.8Å; I434-V1021 HydrophobicContact CD1-CG2 4.33Å; P1017-V1021 PolarHBondContact O-N 2.96Å; V1021-V1023 VanDerWaalsContact C-N 3.34Å; V1021-V1023 PolarHBondContact O-N 3.08Å; V1021-L1024 WeakPolarHBondContact O-CB 3.37Å; V1021-L1024 PolarHBondContact O-N 3.43Å; V1021-R1025 HydrophobicContact CG1-CG 4.37Å; V1021-R1025 WeakPolarHBondContact O-CB 3.46Å; V1021-R1025 WeakPolarHBondContact O-CG 3.32Å; V1021-R1025 PolarHBondContact O-N 3.23Å; V1021-L1059 HydrophobicContact CG2-CD1 3.89Å
1022	Q	94.4	Very high	91.4	Very high	21 Å²	21	25 Å²	25	10%	0.098	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-28.7	174.5	-169	54.8	58.7	0	0	112.8	H999 V1001 A1018 E1019 A1020 Y1026 L1126	H999-Q1022 VanDerWaalsContact CE1-CD 3.47Å; V1001-Q1022 HydrophobicContact CG2-CB 4.42Å; V1001-Q1022 HydrophobicContact CG2-CG 4.26Å; A1018-Q1022 WeakPolarHBondContact O-CB 3.25Å; A1018-Q1022 PolarHBondContact O-N 3.1Å; E1019-Q1022 CarbonylContact O-C 3.54Å; E1019-Q1022 PolarHBondContact O-N 3.4Å; A1020-Q1022 VanDerWaalsContact C-N 3.35Å; Q1022-Y1026 HydrophobicContact CG-CD2 4.1Å; Q1022-Y1026 HydrophobicContact CG-CE2 3.93Å; Q1022-Y1026 VanDerWaalsContact NE2-CD2 3.3Å; Q1022-Y1026 WeakPolarHBondContact O-CD2 3.07Å; Q1022-Y1026 PolarHBondContact O-N 3.33Å; Q1022-Y1026 VanDerWaalsContact O-N 3.16Å; Q1022-L1126 HydrophobicContact CB-CD1 4.11Å; Q1022-L1126 HydrophobicContact CG-CD1 4.18Å; Q1022-L1126 HydrophobicContact CG-CD2 4.13Å
1023	V	96.5	Very high	91.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-54	165.6	174.2	0	0	0	0	110	E1019 A1020 V1021 R1025 Y1026 C1027 V1045 I1056 I1085 L1126	E1019-V1023 WeakPolarHBondContact O-CG2 3.43Å; E1019-V1023 PolarHBondContact O-N 3.08Å; A1020-V1023 WeakPolarHBondContact O-CB 3.2Å; A1020-V1023 PolarHBondContact O-N 3.07Å; V1021-V1023 VanDerWaalsContact C-N 3.34Å; V1021-V1023 PolarHBondContact O-N 3.08Å; V1023-R1025 VanDerWaalsContact C-N 3.32Å; V1023-R1025 PolarHBondContact O-N 3.24Å; V1023-Y1026 PolarHBondContact O-N 3.26Å; V1023-C1027 PolarHBondContact O-N 2.86Å; V1023-C1027 PolarHBondContact O-SG 2.85Å; V1023-C1027 VanDerWaalsContact O-SG 3.37Å; V1023-V1045 HydrophobicContact CG1-CB 4.42Å; V1023-V1045 HydrophobicContact CG1-CG1 3.76Å; V1023-V1045 HydrophobicContact CG1-CG2 3.72Å; V1023-V1045 HydrophobicContact CG2-CG1 4.36Å; V1023-I1056 HydrophobicContact CB-CD1 4.25Å; V1023-I1056 HydrophobicContact CG1-CD1 4.34Å; V1023-I1056 HydrophobicContact CG1-CG2 3.95Å; V1023-I1056 HydrophobicContact CG2-CD1 3.9Å; V1023-I1085 HydrophobicContact CG1-CG2 4.39Å; V1023-I1085 HydrophobicContact CG2-CG2 4.07Å; V1023-L1126 HydrophobicContact CB-CD1 4.28Å; V1023-L1126 HydrophobicContact CG2-CD1 3.42Å; V1023-L1126 VanDerWaalsContact CG2-CD1 3.42Å
1024	L	95.3	Very high	91.3	Very high	16 Å²	16	28.5 Å²	28.5	8%	0.084	14%	0.14	C	C	.	.	H	α-helix	trans	-51.4	-51.3	179.1	174.4	69.4	0	0	0	111.2	A1020 V1021 Y1026 C1027 C1028 L1059 L1060 V1063	A1020-L1024 PolarHBondContact O-N 2.97Å; V1021-L1024 WeakPolarHBondContact O-CB 3.37Å; V1021-L1024 PolarHBondContact O-N 3.43Å; L1024-Y1026 VanDerWaalsContact C-N 3.29Å; L1024-Y1026 PolarHBondContact O-N 2.9Å; L1024-C1027 WeakPolarHBondContact O-CB 3.44Å; L1024-C1027 PolarHBondContact O-N 3.49Å; L1024-C1027 VanDerWaalsContact O-N 3.1Å; L1024-C1028 PolarHBondContact O-N 3.03Å; L1024-C1028 PolarHBondContact O-SG 2.96Å; L1024-L1059 HydrophobicContact CB-CB 4.3Å; L1024-L1059 HydrophobicContact CB-CD1 4.09Å; L1024-L1059 HydrophobicContact CD1-CB 4.2Å; L1024-L1059 HydrophobicContact CD2-CB 4.12Å; L1024-L1059 HydrophobicContact CD2-CD1 4.28Å; L1024-L1059 HydrophobicContact CD2-CD2 4.25Å; L1024-L1059 HydrophobicContact CD2-CG 4.44Å; L1024-L1059 HydrophobicContact CG-CB 4.43Å; L1024-L1060 HydrophobicContact CD1-CD2 4.02Å; L1024-V1063 HydrophobicContact CD1-CG1 4.12Å; L1024-V1063 HydrophobicContact CD1-CG2 3.54Å
1025	R	93.8	Very high	90.5	Very high	60 Å²	60	29.2 Å²	29.2	23%	0.226	15%	0.154	C	C	.	.	H	α-helix	trans	-57.7	-39.9	179	-71.6	174.4	-179.9	-168.4	0.9	111.7	E264 E430 V1021 V1023 L1029	E264-R1025 IonicContact OE1-CZ 2.98Å; E264-R1025 IonicContact OE1-NH1 3.25Å; E264-R1025 PolarHBondContact OE1-NH1 3Å; E264-R1025 IonicContact OE1-NH2 3.57Å; E264-R1025 PolarHBondContact OE1-NH2 3.03Å; E264-R1025 IonicContact OE2-CZ 3.17Å; E264-R1025 IonicContact OE2-NH1 3.34Å; E264-R1025 IonicContact OE2-NH2 2.69Å; E264-R1025 PolarHBondContact OE2-NH2 3.31Å; E430-R1025 IonicContact OE1-CZ 3Å; E430-R1025 VanDerWaalsContact OE1-CZ 3.28Å; E430-R1025 IonicContact OE1-NE 2.75Å; E430-R1025 PolarHBondContact OE1-NE 3.4Å; E430-R1025 IonicContact OE1-NH2 2.76Å; E430-R1025 PolarHBondContact OE1-NH2 3.26Å; E430-R1025 IonicContact OE2-NH2 3.88Å; E430-R1025 PolarHBondContact OE2-NH2 3.04Å; V1021-R1025 HydrophobicContact CG1-CG 4.37Å; V1021-R1025 WeakPolarHBondContact O-CB 3.46Å; V1021-R1025 WeakPolarHBondContact O-CG 3.32Å; V1021-R1025 PolarHBondContact O-N 3.23Å; V1023-R1025 VanDerWaalsContact C-N 3.32Å; V1023-R1025 PolarHBondContact O-N 3.24Å; R1025-L1029 WeakPolarHBondContact O-CB 3.49Å; R1025-L1029 WeakPolarHBondContact O-CD1 3.45Å; R1025-L1029 WeakPolarHBondContact O-CG 3.35Å; R1025-L1029 PolarHBondContact O-N 3.09Å; R1025-L1029 VanDerWaalsContact O-N 3.14Å
1026	Y	95.5	Very high	89.8	Confident	23 Å²	23	30.5 Å²	30.5	9%	0.09	16%	0.163	C	C	.	.	H	α-helix	trans	-70.7	-38.9	174	-82.2	-57.5	0	0	0	113.7	W986 I997 H999 Q1022 V1023 L1024 L1029 L1030 I1124 L1126	W986-Y1026 HydrophobicContact CH2-CD1 4.12Å; W986-Y1026 HydrophobicContact CH2-CE1 4.46Å; I997-Y1026 HydrophobicContact CD1-CE1 4.32Å; H999-Y1026 HydrophobicContact CB-CE2 4.21Å; H999-Y1026 AromaticContact ND1-CE2 3.53Å; H999-Y1026 AromaticContact ND1-CZ 3.62Å; H999-Y1026 PolarHBondContact ND1-OH 3.13Å; Q1022-Y1026 HydrophobicContact CG-CD2 4.1Å; Q1022-Y1026 HydrophobicContact CG-CE2 3.93Å; Q1022-Y1026 VanDerWaalsContact NE2-CD2 3.3Å; Q1022-Y1026 WeakPolarHBondContact O-CD2 3.07Å; Q1022-Y1026 PolarHBondContact O-N 3.33Å; Q1022-Y1026 VanDerWaalsContact O-N 3.16Å; V1023-Y1026 PolarHBondContact O-N 3.26Å; L1024-Y1026 VanDerWaalsContact C-N 3.29Å; L1024-Y1026 PolarHBondContact O-N 2.9Å; Y1026-L1029 PolarHBondContact O-N 3.05Å; Y1026-L1030 WeakPolarHBondContact O-CD1 3.38Å; Y1026-L1030 WeakPolarHBondContact O-CG 3.33Å; Y1026-L1030 PolarHBondContact O-N 3.39Å; Y1026-I1124 HydrophobicContact CD1-CD1 3.75Å; Y1026-I1124 HydrophobicContact CD2-CG2 3.79Å; Y1026-I1124 HydrophobicContact CE1-CD1 4.24Å; Y1026-I1124 HydrophobicContact CE2-CG2 3.78Å; Y1026-I1124 HydrophobicContact CG-CD1 3.91Å; Y1026-I1124 HydrophobicContact CG-CG2 4.23Å; Y1026-L1126 HydrophobicContact CD2-CD2 3.85Å; Y1026-L1126 HydrophobicContact CE2-CD2 3.64Å
1027	C	95.2	Very high	89.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-49.5	175.1	-67.8	0	0	0	0	111.4	V1023 L1024 L1029 L1030 A1031 L1060 L1065 I1068	V1023-C1027 PolarHBondContact O-N 2.86Å; V1023-C1027 PolarHBondContact O-SG 2.85Å; V1023-C1027 VanDerWaalsContact O-SG 3.37Å; L1024-C1027 WeakPolarHBondContact O-CB 3.44Å; L1024-C1027 PolarHBondContact O-N 3.49Å; L1024-C1027 VanDerWaalsContact O-N 3.1Å; C1027-L1029 VanDerWaalsContact C-N 3.33Å; C1027-L1029 PolarHBondContact O-N 3.19Å; C1027-L1030 PolarHBondContact O-N 3.47Å; C1027-L1030 VanDerWaalsContact O-N 3.13Å; C1027-A1031 WeakPolarHBondContact O-CB 3.4Å; C1027-A1031 PolarHBondContact O-N 2.91Å; C1027-L1060 HydrophobicContact CB-CD2 3.79Å; C1027-L1065 HydrophobicContact CB-CD1 4.17Å; C1027-I1068 HydrophobicContact CB-CD1 3.66Å
1028	C	93.1	Very high	89.2	Confident	32 Å²	32	37.2 Å²	37.2	22%	0.216	19%	0.193	C	C	.	.	H	α-helix	trans	-62.3	-39.1	177.7	-58.8	0	0	0	0	112.2	L1024 L1030 H1032	L1024-C1028 PolarHBondContact O-N 3.03Å; L1024-C1028 PolarHBondContact O-SG 2.96Å; C1028-L1030 PolarHBondContact O-N 3.42Å; C1028-H1032 WeakPolarHBondContact O-CB 3.49Å; C1028-H1032 PolarHBondContact O-CD2 2.87Å; C1028-H1032 PolarHBondContact O-N 3.16Å
1029	L	92.5	Very high	89.2	Confident	67 Å²	67	40 Å²	40	35%	0.351	21%	0.212	S	C	.	.	H	α-helix	trans	-68.2	-15	176.9	-75.1	172.1	0	0	0	114.4	W986 K988 R1025 Y1026 C1027 S1033	W986-L1029 HydrophobicContact CZ2-CB 4.06Å; W986-L1029 WeakPolarHBondContact CZ2-O 3.49Å; W986-L1029 PolarHBondContact NE1-O 3.07Å; K988-L1029 HydrophobicContact CG-CD1 4.43Å; R1025-L1029 WeakPolarHBondContact O-CB 3.49Å; R1025-L1029 WeakPolarHBondContact O-CD1 3.45Å; R1025-L1029 WeakPolarHBondContact O-CG 3.35Å; R1025-L1029 PolarHBondContact O-N 3.09Å; R1025-L1029 VanDerWaalsContact O-N 3.14Å; Y1026-L1029 PolarHBondContact O-N 3.05Å; C1027-L1029 VanDerWaalsContact C-N 3.33Å; C1027-L1029 PolarHBondContact O-N 3.19Å; L1029-S1033 WeakPolarHBondContact O-CB 3.26Å
1030	L	93.2	Very high	89.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-96.8	-47.2	174.4	-69.5	162.2	0	0	0	111.2	W986 Y1026 C1027 C1028 H1032 S1033 V1038 I1043 V1083 I1085 L1122 I1124	W986-L1030 HydrophobicContact CD2-CD2 4.23Å; W986-L1030 HydrophobicContact CE3-CD2 4.4Å; W986-L1030 HydrophobicContact CH2-CD2 3.72Å; W986-L1030 HydrophobicContact CH2-CG 4.01Å; W986-L1030 HydrophobicContact CZ2-CD2 3.5Å; W986-L1030 HydrophobicContact CZ2-CG 3.82Å; W986-L1030 HydrophobicContact CZ3-CD2 4.17Å; Y1026-L1030 WeakPolarHBondContact O-CD1 3.38Å; Y1026-L1030 WeakPolarHBondContact O-CG 3.33Å; Y1026-L1030 PolarHBondContact O-N 3.39Å; C1027-L1030 PolarHBondContact O-N 3.47Å; C1027-L1030 VanDerWaalsContact O-N 3.13Å; C1028-L1030 PolarHBondContact O-N 3.42Å; L1030-H1032 VanDerWaalsContact C-N 3.31Å; L1030-H1032 PolarHBondContact O-N 2.82Å; L1030-S1033 WeakPolarHBondContact O-CB 3.41Å; L1030-S1033 PolarHBondContact O-N 2.99Å; L1030-V1038 HydrophobicContact CB-CB 4.41Å; L1030-V1038 HydrophobicContact CD2-CG2 4.31Å; L1030-V1038 PolarHBondContact O-N 3.04Å; L1030-V1038 VanDerWaalsContact O-N 3.11Å; L1030-I1043 HydrophobicContact CB-CD1 3.78Å; L1030-I1043 HydrophobicContact CD1-CD1 4.27Å; L1030-V1083 HydrophobicContact CD1-CB 4.45Å; L1030-V1083 HydrophobicContact CD1-CG1 3.77Å; L1030-V1083 HydrophobicContact CD1-CG2 4.45Å; L1030-V1083 HydrophobicContact CD2-CG2 4.4Å; L1030-I1085 HydrophobicContact CD1-CD1 4.38Å; L1030-L1122 HydrophobicContact CD2-CD2 3.86Å; L1030-I1124 HydrophobicContact CD1-CD1 4.38Å
1031	A	90.3	Very high	89	Confident	6 Å²	6	43.9 Å²	43.9	5%	0.05	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-24.7	-178.9	0	0	0	0	0	113.9	C1027 Q1037 L1065	C1027-A1031 WeakPolarHBondContact O-CB 3.4Å; C1027-A1031 PolarHBondContact O-N 2.91Å; A1031-Q1037 VanDerWaalsContact O-CG 3.3Å; A1031-Q1037 WeakPolarHBondContact O-CG 3.39Å; A1031-Q1037 PolarHBondContact O-NE2 3.14Å; A1031-L1065 HydrophobicContact CB-CD1 3.96Å; A1031-L1065 HydrophobicContact CB-CD2 3.58Å; A1031-L1065 HydrophobicContact CB-CG 4.46Å
1032	H	86.6	Confident	89	Confident	120 Å²	120	47.1 Å²	47.1	56%	0.556	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	23.7	177.6	-47.3	-56.2	0	0	0	112.8	C1028 L1030 I1034	C1028-H1032 WeakPolarHBondContact O-CB 3.49Å; C1028-H1032 PolarHBondContact O-CD2 2.87Å; C1028-H1032 PolarHBondContact O-N 3.16Å; L1030-H1032 VanDerWaalsContact C-N 3.31Å; L1030-H1032 PolarHBondContact O-N 2.82Å; H1032-I1034 PolarHBondContact O-N 3.26Å
1033	S	78.8	Confident	89.2	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.063	25%	0.253	C	S	.	.			trans	-70.7	117	176.6	-179	0	0	0	0	111.4	W986 L1029 L1030 S1035 S1036 Q1037	W986-S1033 PolarHBondContact NE1-OG 3.15Å; L1029-S1033 WeakPolarHBondContact O-CB 3.26Å; L1030-S1033 WeakPolarHBondContact O-CB 3.41Å; L1030-S1033 PolarHBondContact O-N 2.99Å; S1033-S1035 VanDerWaalsContact C-N 3.26Å; S1033-S1035 PolarHBondContact O-N 3.15Å; S1033-S1036 VanDerWaalsContact CB-O 3.27Å; S1033-S1036 WeakPolarHBondContact CB-O 3.23Å; S1033-S1036 PolarHBondContact OG-N 2.89Å; S1033-S1036 PolarHBondContact OG-O 3.18Å; S1033-Q1037 WeakPolarHBondContact O-CA 3.33Å; S1033-Q1037 WeakPolarHBondContact O-CB 3.49Å; S1033-Q1037 PolarHBondContact O-N 3.14Å
1034	I	72.7	Confident	89.2	Confident	170 Å²	170	46.1 Å²	46.1	87%	0.872	25%	0.253	S	S	*	.	S	Bend	trans	-63	-33.5	178	-57.4	171.6	0	0	0	111.6	H1032	H1032-I1034 PolarHBondContact O-N 3.26Å
1035	S	69.2	Low	89.3	Confident	73 Å²	73	45.4 Å²	45.4	51%	0.51	25%	0.249	S	C	.	.	S	Bend	trans	-95.8	-20.5	-172.5	49.8	0	0	0	0	114.4	S1033	S1033-S1035 VanDerWaalsContact C-N 3.26Å; S1033-S1035 PolarHBondContact O-N 3.15Å
1036	S	77.1	Confident	89.4	Confident	27 Å²	27	42.5 Å²	42.5	19%	0.189	24%	0.239	C	C	.	.	S	Bend	trans	-160.1	71.4	-177.9	-49.3	0	0	0	0	109.6	S1033 V1038	S1033-S1036 VanDerWaalsContact CB-O 3.27Å; S1033-S1036 WeakPolarHBondContact CB-O 3.23Å; S1033-S1036 PolarHBondContact OG-N 2.89Å; S1033-S1036 PolarHBondContact OG-O 3.18Å; S1036-V1038 PolarHBondContact O-N 3.31Å
1037	Q	83.4	Confident	89.3	Confident	151 Å²	151	41.4 Å²	41.4	71%	0.706	23%	0.234	S	C	*	.			trans	-67.2	130.8	-179.3	-163	178	9.5	0	0	110.6	A1031 S1033	A1031-Q1037 VanDerWaalsContact O-CG 3.3Å; A1031-Q1037 WeakPolarHBondContact O-CG 3.39Å; A1031-Q1037 PolarHBondContact O-NE2 3.14Å; S1033-Q1037 WeakPolarHBondContact O-CA 3.33Å; S1033-Q1037 WeakPolarHBondContact O-CB 3.49Å; S1033-Q1037 PolarHBondContact O-N 3.14Å
1038	V	90.4	Very high	88.9	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.03	24%	0.243	C	C	.	.			trans	-110.2	134.1	177	-176.7	0	0	0	0	109.2	L983 L1030 S1036 D1042 I1043 L1082 V1083	L983-V1038 HydrophobicContact CD1-CG2 4.18Å; L983-V1038 HydrophobicContact CD2-CG2 3.82Å; L1030-V1038 HydrophobicContact CB-CB 4.41Å; L1030-V1038 HydrophobicContact CD2-CG2 4.31Å; L1030-V1038 PolarHBondContact O-N 3.04Å; L1030-V1038 VanDerWaalsContact O-N 3.11Å; S1036-V1038 PolarHBondContact O-N 3.31Å; V1038-D1042 HydrophobicContact CG1-CB 3.87Å; V1038-I1043 HydrophobicContact CB-CD1 4.39Å; V1038-I1043 HydrophobicContact CB-CG1 4.41Å; V1038-I1043 HydrophobicContact CG1-CD1 4.21Å; V1038-I1043 HydrophobicContact CG1-CG1 3.71Å; V1038-L1082 HydrophobicContact CG1-CD2 4.11Å; V1038-L1082 HydrophobicContact CG2-CD2 4.41Å; V1038-V1083 HydrophobicContact CG1-CG2 4.1Å; V1038-V1083 HydrophobicContact CG2-CG2 4.29Å
1039	S	92.3	Very high	88.6	Confident	60 Å²	60	43 Å²	43	42%	0.42	24%	0.239	S	C	.	.			trans	-60.9	142.1	172.8	-176.4	0	0	0	0	110.6	S1041 D1042	S1039-S1041 WeakPolarHBondContact CB-OG 3.46Å; S1039-S1041 PolarHBondContact O-N 2.79Å; S1039-S1041 PolarHBondContact OG-N 2.84Å; S1039-S1041 PolarHBondContact OG-OG 3.37Å; S1039-D1042 WeakPolarHBondContact CB-OD2 3.19Å; S1039-D1042 PolarHBondContact O-N 2.97Å
1040	A	92.1	Very high	88.2	Confident	16 Å²	16	44.7 Å²	44.7	13%	0.132	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-55.6	-36.6	174.1	0	0	0	0	0	111.9	D1042 I1043 D1067 I1068	A1040-D1042 PolarHBondContact O-N 3.47Å; A1040-I1043 PolarHBondContact O-N 3.16Å; A1040-D1067 HydrophobicContact CB-CB 3.87Å; A1040-I1068 HydrophobicContact CB-CG1 3.82Å; A1040-I1068 WeakPolarHBondContact O-CA 3.41Å; A1040-I1068 WeakPolarHBondContact O-CG1 3.3Å
1041	S	92.7	Very high	87.9	Confident	66 Å²	66	45.6 Å²	45.6	46%	0.462	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-61.9	-22.8	175	61.2	0	0	0	0	114.7	S1039 Y1081	S1039-S1041 WeakPolarHBondContact CB-OG 3.46Å; S1039-S1041 PolarHBondContact O-N 2.79Å; S1039-S1041 PolarHBondContact OG-N 2.84Å; S1039-S1041 PolarHBondContact OG-OG 3.37Å; S1041-Y1081 WeakPolarHBondContact O-CD1 3.5Å; S1041-Y1081 WeakPolarHBondContact O-CE1 3.31Å
1042	D	95.1	Very high	88.1	Confident	68 Å²	68	45.3 Å²	45.3	36%	0.364	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-94.7	3.1	-178.1	-77.6	-59.2	0	0	0	113.4	V1038 S1039 A1040 L1082 V1083	V1038-D1042 HydrophobicContact CG1-CB 3.87Å; S1039-D1042 WeakPolarHBondContact CB-OD2 3.19Å; S1039-D1042 PolarHBondContact O-N 2.97Å; A1040-D1042 PolarHBondContact O-N 3.47Å; D1042-L1082 HydrophobicContact CB-CB 3.89Å; D1042-L1082 PolarHBondContact O-N 2.78Å; D1042-V1083 PolarHBondContact O-N 3.33Å; D1042-V1083 VanDerWaalsContact O-N 3.08Å
1043	I	96.8	Very high	88.3	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.1	177.4	-54.7	173.1	0	0	0	109.5	L1030 V1038 A1040 I1068 K1069 V1083 I1085	L1030-I1043 HydrophobicContact CB-CD1 3.78Å; L1030-I1043 HydrophobicContact CD1-CD1 4.27Å; V1038-I1043 HydrophobicContact CB-CD1 4.39Å; V1038-I1043 HydrophobicContact CB-CG1 4.41Å; V1038-I1043 HydrophobicContact CG1-CD1 4.21Å; V1038-I1043 HydrophobicContact CG1-CG1 3.71Å; A1040-I1043 PolarHBondContact O-N 3.16Å; I1043-I1068 HydrophobicContact CB-CD1 4.25Å; I1043-I1068 HydrophobicContact CB-CG1 4.23Å; I1043-I1068 HydrophobicContact CB-CG2 4.2Å; I1043-I1068 HydrophobicContact CD1-CD1 4.01Å; I1043-I1068 HydrophobicContact CG2-CD1 4.27Å; I1043-I1068 HydrophobicContact CG2-CG2 3.98Å; I1043-K1069 PolarHBondContact O-N 2.89Å; I1043-V1083 HydrophobicContact CG1-CB 4.45Å; I1043-I1085 HydrophobicContact CG2-CD1 4.32Å
1044	G	97.2	Very high	88.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.6	173.6	0	0	0	0	0	113.1	V1083 I1084 I1085	G1044-V1083 PolarHBondContact N-O 3.23Å; G1044-I1084 CarbonylContact O-C 3.47Å; G1044-I1084 VanDerWaalsContact O-CA 3.3Å; G1044-I1084 WeakPolarHBondContact O-CA 3.06Å; G1044-I1085 PolarHBondContact O-N 3.14Å
1045	V	97.9	Very high	89.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.4	174.5	-177.5	0	0	0	0	110.8	V1023 I1056 I1068 K1069 V1070 G1071 F1076 I1085	V1023-V1045 HydrophobicContact CG1-CB 4.42Å; V1023-V1045 HydrophobicContact CG1-CG1 3.76Å; V1023-V1045 HydrophobicContact CG1-CG2 3.72Å; V1023-V1045 HydrophobicContact CG2-CG1 4.36Å; V1045-I1056 HydrophobicContact CG1-CD1 4.06Å; V1045-I1056 HydrophobicContact CG1-CG2 4.36Å; V1045-I1068 HydrophobicContact CG2-CG2 3.8Å; V1045-K1069 PolarHBondContact N-O 2.82Å; V1045-V1070 HydrophobicContact CB-CB 4.37Å; V1045-V1070 HydrophobicContact CB-CG1 4.04Å; V1045-V1070 HydrophobicContact CB-CG2 4.18Å; V1045-V1070 HydrophobicContact CG1-CG1 4.02Å; V1045-V1070 HydrophobicContact CG2-CG2 4.48Å; V1045-V1070 WeakPolarHBondContact O-CA 3.47Å; V1045-G1071 PolarHBondContact O-N 2.85Å; V1045-F1076 VanDerWaalsContact O-CE2 3.24Å; V1045-F1076 WeakPolarHBondContact O-CE2 3.32Å; V1045-F1076 WeakPolarHBondContact O-CZ 3.41Å; V1045-I1085 CarbonylContact C-O 3.58Å; V1045-I1085 WeakPolarHBondContact CA-O 3.49Å; V1045-I1085 HydrophobicContact CG2-CB 4.37Å
1046	I	95.5	Very high	91.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.2	178.9	-60.7	-178.2	0	0	0	109.5	G1071 V1073 F1076 I1084 I1085 I1086 S1087 A1115 R1118	I1046-G1071 WeakPolarHBondContact CA-O 3.48Å; I1046-V1073 HydrophobicContact CG2-CG2 3.51Å; I1046-F1076 HydrophobicContact CD1-CB 4.27Å; I1046-F1076 HydrophobicContact CD1-CD1 4.22Å; I1046-F1076 HydrophobicContact CD1-CD2 4.43Å; I1046-F1076 HydrophobicContact CD1-CG 4.05Å; I1046-F1076 HydrophobicContact CG1-CB 4.45Å; I1046-F1076 HydrophobicContact CG1-CD1 4.02Å; I1046-F1076 HydrophobicContact CG1-CD2 3.71Å; I1046-F1076 HydrophobicContact CG1-CE1 4.14Å; I1046-F1076 HydrophobicContact CG1-CE2 3.81Å; I1046-F1076 HydrophobicContact CG1-CG 3.79Å; I1046-F1076 HydrophobicContact CG1-CZ 4.02Å; I1046-I1084 HydrophobicContact CD1-CD1 4.3Å; I1046-I1084 HydrophobicContact CD1-CG2 3.71Å; I1046-I1084 HydrophobicContact CG1-CG2 4.11Å; I1046-I1085 PolarHBondContact N-O 3.36Å; I1046-I1086 HydrophobicContact CB-CG1 4.34Å; I1046-I1086 WeakPolarHBondContact O-CA 3.43Å; I1046-S1087 PolarHBondContact O-N 3.2Å; I1046-A1115 HydrophobicContact CD1-CB 4.22Å; I1046-A1115 HydrophobicContact CG2-CB 4.29Å; I1046-R1118 HydrophobicContact CD1-CB 4.26Å; I1046-R1118 HydrophobicContact CD1-CG 3.82Å
1047	T	93.6	Very high	91.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.			trans	-149	138.6	170.1	-171	0	0	0	0	112.1	Y1049 Q1052 V1053 I1056 G1071 S1072 S1087 V1089	T1047-Y1049 VanDerWaalsContact C-N 3.32Å; T1047-Y1049 PolarHBondContact O-N 3.3Å; T1047-Q1052 HydrophobicContact CG2-CB 3.8Å; T1047-Q1052 HydrophobicContact CG2-CG 3.79Å; T1047-Q1052 WeakPolarHBondContact OG1-CG 3.44Å; T1047-V1053 HydrophobicContact CG2-CB 4.37Å; T1047-V1053 HydrophobicContact CG2-CG2 3.5Å; T1047-I1056 HydrophobicContact CG2-CD1 4.35Å; T1047-G1071 PolarHBondContact N-O 2.94Å; T1047-S1072 WeakPolarHBondContact O-CA 3.43Å; T1047-S1087 WeakPolarHBondContact CB-O 3.38Å; T1047-S1087 PolarHBondContact OG1-O 3.27Å; T1047-V1089 WeakPolarHBondContact OG1-CG2 3.34Å
1048	P	86.1	Confident	92.2	Very high	29 Å²	29	30.9 Å²	30.9	19%	0.188	16%	0.156	C	C	.	.	S	Bend	trans	-82	-4.8	-167.1	34.4	-39.9	0	0	0	115.2	S1087 F1105	P1048-S1087 VanDerWaalsContact CD-O 3.22Å; P1048-S1087 WeakPolarHBondContact CD-O 3.39Å; P1048-F1105 HydrophobicContact CB-CB 3.67Å; P1048-F1105 HydrophobicContact CB-CD1 3.7Å; P1048-F1105 HydrophobicContact CB-CD2 3.32Å; P1048-F1105 HydrophobicContact CB-CE1 4.13Å; P1048-F1105 HydrophobicContact CB-CE2 3.79Å; P1048-F1105 HydrophobicContact CB-CG 3.27Å; P1048-F1105 HydrophobicContact CB-CZ 4.16Å; P1048-F1105 HydrophobicContact CG-CB 3.89Å; P1048-F1105 HydrophobicContact CG-CD1 3.46Å; P1048-F1105 VanDerWaalsContact CG-CD1 3.46Å; P1048-F1105 HydrophobicContact CG-CD2 4.08Å; P1048-F1105 HydrophobicContact CG-CE1 3.94Å; P1048-F1105 HydrophobicContact CG-CE2 4.49Å; P1048-F1105 HydrophobicContact CG-CG 3.54Å; P1048-F1105 HydrophobicContact CG-CZ 4.43Å
1049	Y	86.9	Confident	92.4	Very high	35 Å²	35	30.7 Å²	30.7	14%	0.137	16%	0.155	C	C	.	.			trans	-114.6	121.9	-177.9	-63.7	-79.8	0	0	0	110.2	S1013 W1014 T1047 K1051 Q1052 V1053 V1089 R1090	S1013-Y1049 WeakPolarHBondContact OG-CB 3.38Å; W1014-Y1049 HydrophobicContact CB-CD1 4.05Å; W1014-Y1049 HydrophobicContact CB-CE1 4.18Å; W1014-Y1049 HydrophobicContact CB-CG 4.27Å; W1014-Y1049 AromaticContact CD1-CE1 3.78Å; W1014-Y1049 HydrophobicContact CG-CE1 4.38Å; W1014-Y1049 WeakPolarHBondContact O-CB 3.04Å; T1047-Y1049 VanDerWaalsContact C-N 3.32Å; T1047-Y1049 PolarHBondContact O-N 3.3Å; Y1049-K1051 PolarHBondContact O-N 3.43Å; Y1049-K1051 VanDerWaalsContact O-N 3.15Å; Y1049-Q1052 WeakPolarHBondContact O-CA 3.25Å; Y1049-Q1052 WeakPolarHBondContact O-CB 3.5Å; Y1049-Q1052 PolarHBondContact O-N 3.44Å; Y1049-V1053 PolarHBondContact O-N 3.16Å; Y1049-V1053 VanDerWaalsContact O-N 3.1Å; Y1049-V1089 HydrophobicContact CD2-CB 3.6Å; Y1049-V1089 HydrophobicContact CD2-CG1 3.87Å; Y1049-V1089 HydrophobicContact CD2-CG2 3.73Å; Y1049-V1089 HydrophobicContact CE2-CB 3.92Å; Y1049-V1089 HydrophobicContact CE2-CG1 4.3Å; Y1049-V1089 HydrophobicContact CE2-CG2 4.45Å; Y1049-R1090 HydrophobicContact CE2-CG 3.8Å; Y1049-R1090 WeakPolarHBondContact OH-CD 3.08Å; Y1049-R1090 WeakPolarHBondContact OH-CG 3.36Å; Y1049-R1090 PolarHBondContact OH-NH1 2.96Å
1050	R	84.1	Confident	92.5	Very high	104 Å²	104	28 Å²	28	39%	0.392	14%	0.136	S	C	.	.	H	α-helix	trans	-55.2	-34.1	-179.3	-178.6	173.5	172.2	128.8	-22.1	112.6	E555 S1013 V1053 E1054	E555-R1050 PolarHBondContact O-NH1 2.87Å; E555-R1050 PolarHBondContact O-NH2 2.67Å; E555-R1050 IonicContact OE2-CZ 3.61Å; E555-R1050 IonicContact OE2-NE 3.8Å; E555-R1050 PolarHBondContact OE2-NE 3.38Å; E555-R1050 IonicContact OE2-NH2 2.74Å; E555-R1050 PolarHBondContact OE2-NH2 3.31Å; S1013-R1050 PolarHBondContact OG-N 3.19Å; R1050-V1053 WeakPolarHBondContact O-CB 3.45Å; R1050-V1053 PolarHBondContact O-N 3.38Å; R1050-E1054 PolarHBondContact O-N 3.24Å
1051	K	87.8	Confident	92.4	Very high	19 Å²	19	35.7 Å²	35.7	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-33.5	175.6	-159.1	74.2	-155.5	178.7	0	112.9	E1008 S1013 F1015 Y1049 E1054 K1055	E1008-K1051 VanDerWaalsContact CD-CE 3.5Å; E1008-K1051 HydrophobicContact CG-CD 4.33Å; E1008-K1051 WeakPolarHBondContact OE1-CE 3.17Å; E1008-K1051 IonicContact OE1-NZ 3.48Å; E1008-K1051 PolarHBondContact OE1-NZ 2.65Å; S1013-K1051 WeakPolarHBondContact O-CB 3.35Å; S1013-K1051 WeakPolarHBondContact OG-CB 3.31Å; S1013-K1051 PolarHBondContact OG-N 3.32Å; F1015-K1051 HydrophobicContact CB-CB 4.18Å; F1015-K1051 HydrophobicContact CB-CG 4.07Å; F1015-K1051 HydrophobicContact CD1-CB 4.42Å; F1015-K1051 HydrophobicContact CD1-CG 3.63Å; F1015-K1051 HydrophobicContact CE1-CG 4.33Å; F1015-K1051 HydrophobicContact CG-CG 4.08Å; Y1049-K1051 PolarHBondContact O-N 3.43Å; Y1049-K1051 VanDerWaalsContact O-N 3.15Å; K1051-E1054 VanDerWaalsContact CD-OE2 3.26Å; K1051-E1054 WeakPolarHBondContact CD-OE2 3.41Å; K1051-E1054 VanDerWaalsContact CE-OE1 3.25Å; K1051-E1054 WeakPolarHBondContact CE-OE1 3.28Å; K1051-E1054 WeakPolarHBondContact CE-OE2 3.46Å; K1051-E1054 IonicContact NZ-OE1 3.37Å; K1051-E1054 PolarHBondContact NZ-OE1 2.92Å; K1051-E1054 IonicContact NZ-OE2 2.73Å; K1051-E1054 PolarHBondContact NZ-OE2 3.31Å; K1051-E1054 PolarHBondContact O-N 2.81Å; K1051-K1055 WeakPolarHBondContact O-CG 3.42Å; K1051-K1055 PolarHBondContact O-N 2.96Å
1052	Q	93.2	Very high	92.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.5	-40.3	171.2	-169.4	78.3	-19.2	0	0	111.3	F1015 N1016 T1047 Y1049 E1054 K1055 I1056 S1087 V1089	F1015-Q1052 HydrophobicContact CB-CB 4.48Å; N1016-Q1052 PolarHBondContact O-NE2 3.11Å; N1016-Q1052 PolarHBondContact O-OE1 3.39Å; T1047-Q1052 HydrophobicContact CG2-CB 3.8Å; T1047-Q1052 HydrophobicContact CG2-CG 3.79Å; T1047-Q1052 WeakPolarHBondContact OG1-CG 3.44Å; Y1049-Q1052 WeakPolarHBondContact O-CA 3.25Å; Y1049-Q1052 WeakPolarHBondContact O-CB 3.5Å; Y1049-Q1052 PolarHBondContact O-N 3.44Å; Q1052-E1054 VanDerWaalsContact C-N 3.31Å; Q1052-E1054 PolarHBondContact O-N 3.22Å; Q1052-K1055 PolarHBondContact O-N 3.1Å; Q1052-I1056 HydrophobicContact CG-CD1 3.78Å; Q1052-I1056 HydrophobicContact CG-CG1 4.4Å; Q1052-I1056 WeakPolarHBondContact O-CB 3.49Å; Q1052-I1056 VanDerWaalsContact O-CG1 3.26Å; Q1052-I1056 WeakPolarHBondContact O-CG1 3.21Å; Q1052-I1056 PolarHBondContact O-N 3.41Å; Q1052-S1087 PolarHBondContact NE2-OG 3.49Å; Q1052-S1087 VanDerWaalsContact NE2-OG 3.1Å; Q1052-V1089 HydrophobicContact CB-CG2 3.75Å; Q1052-V1089 HydrophobicContact CG-CG2 3.53Å
1053	V	92.6	Very high	92.1	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-54.7	-48.7	172.1	175.1	0	0	0	0	110.5	T1047 Y1049 R1050 I1056 R1057 V1070	T1047-V1053 HydrophobicContact CG2-CB 4.37Å; T1047-V1053 HydrophobicContact CG2-CG2 3.5Å; Y1049-V1053 PolarHBondContact O-N 3.16Å; Y1049-V1053 VanDerWaalsContact O-N 3.1Å; R1050-V1053 WeakPolarHBondContact O-CB 3.45Å; R1050-V1053 PolarHBondContact O-N 3.38Å; V1053-I1056 PolarHBondContact O-N 3.31Å; V1053-R1057 HydrophobicContact CG1-CG 4.49Å; V1053-R1057 WeakPolarHBondContact O-CG 2.98Å; V1053-R1057 PolarHBondContact O-N 2.67Å; V1053-V1070 HydrophobicContact CB-CG1 4.25Å; V1053-V1070 HydrophobicContact CG1-CB 4.23Å; V1053-V1070 HydrophobicContact CG1-CG1 3.89Å; V1053-V1070 HydrophobicContact CG2-CG1 4.43Å
1054	E	90	Very high	91.7	Very high	55 Å²	55	42.3 Å²	42.3	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-53.7	178.9	-171.8	-155.5	122.7	0	0	112.5	R1050 K1051 Q1052 I1056 R1057 I1058	R1050-E1054 PolarHBondContact O-N 3.24Å; K1051-E1054 VanDerWaalsContact CD-OE2 3.26Å; K1051-E1054 WeakPolarHBondContact CD-OE2 3.41Å; K1051-E1054 VanDerWaalsContact CE-OE1 3.25Å; K1051-E1054 WeakPolarHBondContact CE-OE1 3.28Å; K1051-E1054 WeakPolarHBondContact CE-OE2 3.46Å; K1051-E1054 IonicContact NZ-OE1 3.37Å; K1051-E1054 PolarHBondContact NZ-OE1 2.92Å; K1051-E1054 IonicContact NZ-OE2 2.73Å; K1051-E1054 PolarHBondContact NZ-OE2 3.31Å; K1051-E1054 PolarHBondContact O-N 2.81Å; Q1052-E1054 VanDerWaalsContact C-N 3.31Å; Q1052-E1054 PolarHBondContact O-N 3.22Å; E1054-I1056 VanDerWaalsContact C-N 3.29Å; E1054-I1056 PolarHBondContact O-N 3.14Å; E1054-R1057 PolarHBondContact O-N 3.41Å; E1054-R1057 VanDerWaalsContact O-N 3.16Å; E1054-I1058 HydrophobicContact CG-CD1 4.3Å; E1054-I1058 WeakPolarHBondContact O-CG1 3.38Å; E1054-I1058 PolarHBondContact O-N 3.34Å
1055	K	92.6	Very high	91.5	Very high	4 Å²	4	43 Å²	43	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-36.2	179.7	-63.2	-58.2	-167.1	163.6	0	112.1	I434 A435 E1008 F1015 K1051 Q1052 I1058 L1059	I434-K1055 HydrophobicContact CB-CB 4.21Å; I434-K1055 HydrophobicContact CB-CD 3.95Å; I434-K1055 HydrophobicContact CB-CG 4.36Å; I434-K1055 HydrophobicContact CD1-CB 4.31Å; I434-K1055 HydrophobicContact CG2-CB 4.2Å; I434-K1055 HydrophobicContact CG2-CD 4.25Å; I434-K1055 WeakPolarHBondContact O-CE 3.33Å; I434-K1055 PolarHBondContact O-NZ 2.87Å; A435-K1055 PolarHBondContact O-NZ 3.31Å; E1008-K1055 IonicContact OE1-NZ 2.72Å; E1008-K1055 PolarHBondContact OE1-NZ 3.13Å; E1008-K1055 VanDerWaalsContact OE1-NZ 3.13Å; E1008-K1055 IonicContact OE2-NZ 2.74Å; E1008-K1055 PolarHBondContact OE2-NZ 2.84Å; F1015-K1055 HydrophobicContact CB-CG 4.38Å; F1015-K1055 HydrophobicContact CD2-CD 4.49Å; F1015-K1055 HydrophobicContact CD2-CG 3.82Å; F1015-K1055 HydrophobicContact CE2-CD 4.48Å; F1015-K1055 HydrophobicContact CE2-CG 4.3Å; F1015-K1055 HydrophobicContact CG-CG 4.2Å; K1051-K1055 WeakPolarHBondContact O-CG 3.42Å; K1051-K1055 PolarHBondContact O-N 2.96Å; Q1052-K1055 PolarHBondContact O-N 3.1Å; K1055-I1058 PolarHBondContact O-N 2.91Å; K1055-L1059 PolarHBondContact O-N 2.61Å; K1055-L1059 VanDerWaalsContact O-N 3.1Å
1056	I	95.3	Very high	91.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-68.8	-43.1	174.9	-67.2	169.1	0	0	0	111.2	A1020 V1023 V1045 T1047 Q1052 V1053 E1054 I1058 L1059 L1060 V1070	A1020-I1056 HydrophobicContact CB-CD1 4.47Å; A1020-I1056 HydrophobicContact CB-CG1 3.7Å; V1023-I1056 HydrophobicContact CB-CD1 4.25Å; V1023-I1056 HydrophobicContact CG1-CD1 4.34Å; V1023-I1056 HydrophobicContact CG1-CG2 3.95Å; V1023-I1056 HydrophobicContact CG2-CD1 3.9Å; V1045-I1056 HydrophobicContact CG1-CD1 4.06Å; V1045-I1056 HydrophobicContact CG1-CG2 4.36Å; T1047-I1056 HydrophobicContact CG2-CD1 4.35Å; Q1052-I1056 HydrophobicContact CG-CD1 3.78Å; Q1052-I1056 HydrophobicContact CG-CG1 4.4Å; Q1052-I1056 WeakPolarHBondContact O-CB 3.49Å; Q1052-I1056 VanDerWaalsContact O-CG1 3.26Å; Q1052-I1056 WeakPolarHBondContact O-CG1 3.21Å; Q1052-I1056 PolarHBondContact O-N 3.41Å; V1053-I1056 PolarHBondContact O-N 3.31Å; E1054-I1056 VanDerWaalsContact C-N 3.29Å; E1054-I1056 PolarHBondContact O-N 3.14Å; I1056-I1058 VanDerWaalsContact C-N 3.27Å; I1056-I1058 PolarHBondContact O-N 3.03Å; I1056-L1059 PolarHBondContact O-N 3.48Å; I1056-L1059 VanDerWaalsContact O-N 3.16Å; I1056-L1060 HydrophobicContact CG2-CD1 3.74Å; I1056-L1060 HydrophobicContact CG2-CG 4.17Å; I1056-L1060 WeakPolarHBondContact O-CG 3.21Å; I1056-L1060 PolarHBondContact O-N 3.18Å; I1056-V1070 HydrophobicContact CB-CG1 4.11Å; I1056-V1070 HydrophobicContact CG2-CG1 3.93Å; I1056-V1070 HydrophobicContact CG2-CG2 3.96Å
1057	R	93.4	Very high	90.9	Very high	121 Å²	121	54.2 Å²	54.2	46%	0.457	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-37.2	175.1	-73.6	178.7	-171.8	174.8	5.5	112.1	V1053 E1054 L1060 R1061 V1070 E1075	V1053-R1057 HydrophobicContact CG1-CG 4.49Å; V1053-R1057 WeakPolarHBondContact O-CG 2.98Å; V1053-R1057 PolarHBondContact O-N 2.67Å; E1054-R1057 PolarHBondContact O-N 3.41Å; E1054-R1057 VanDerWaalsContact O-N 3.16Å; R1057-L1060 PolarHBondContact O-N 3.27Å; R1057-R1061 WeakPolarHBondContact O-CB 3.34Å; R1057-R1061 PolarHBondContact O-N 2.74Å; R1057-V1070 HydrophobicContact CG-CB 3.92Å; R1057-V1070 HydrophobicContact CG-CG2 3.98Å; R1057-V1070 PolarHBondContact NE-O 2.68Å; R1057-V1070 PolarHBondContact NH2-O 3.45Å; R1057-E1075 IonicContact NH2-OE2 2.72Å
1058	I	91.4	Very high	91	Very high	57 Å²	57	54.5 Å²	54.5	29%	0.292	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-48.6	173	-67.4	165.5	0	0	0	110.8	I434 E1054 K1055 I1056 L1060 R1061 N1062	I434-I1058 HydrophobicContact CG2-CG2 4.3Å; E1054-I1058 HydrophobicContact CG-CD1 4.3Å; E1054-I1058 WeakPolarHBondContact O-CG1 3.38Å; E1054-I1058 PolarHBondContact O-N 3.34Å; K1055-I1058 PolarHBondContact O-N 2.91Å; I1056-I1058 VanDerWaalsContact C-N 3.27Å; I1056-I1058 PolarHBondContact O-N 3.03Å; I1058-L1060 PolarHBondContact O-N 3.46Å; I1058-R1061 PolarHBondContact O-N 2.74Å; I1058-N1062 VanDerWaalsContact O-CG 3.31Å; I1058-N1062 PolarHBondContact O-N 3.4Å; I1058-N1062 PolarHBondContact O-OD1 3.16Å
1059	L	93.5	Very high	91.4	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-41.7	177.2	-74.1	-176	0	0	0	112.8	I434 A1020 V1021 L1024 K1055 I1056 N1062	I434-L1059 HydrophobicContact CD1-CD1 3.85Å; I434-L1059 HydrophobicContact CD1-CG 4.29Å; I434-L1059 HydrophobicContact CG1-CD2 4.47Å; I434-L1059 HydrophobicContact CG2-CD2 3.76Å; I434-L1059 HydrophobicContact CG2-CG 3.83Å; A1020-L1059 HydrophobicContact CB-CD1 4.1Å; A1020-L1059 WeakPolarHBondContact O-CD1 3.2Å; V1021-L1059 HydrophobicContact CG2-CD1 3.89Å; L1024-L1059 HydrophobicContact CB-CB 4.3Å; L1024-L1059 HydrophobicContact CB-CD1 4.09Å; L1024-L1059 HydrophobicContact CD1-CB 4.2Å; L1024-L1059 HydrophobicContact CD2-CB 4.12Å; L1024-L1059 HydrophobicContact CD2-CD1 4.28Å; L1024-L1059 HydrophobicContact CD2-CD2 4.25Å; L1024-L1059 HydrophobicContact CD2-CG 4.44Å; L1024-L1059 HydrophobicContact CG-CB 4.43Å; K1055-L1059 PolarHBondContact O-N 2.61Å; K1055-L1059 VanDerWaalsContact O-N 3.1Å; I1056-L1059 PolarHBondContact O-N 3.48Å; I1056-L1059 VanDerWaalsContact O-N 3.16Å; L1059-N1062 PolarHBondContact O-N 2.97Å
1060	L	93.9	Very high	91.8	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-71	-34.6	-179.4	-68.6	172.5	0	0	0	112.9	L1024 C1027 I1056 R1057 I1058 N1062 V1063 D1064 L1065 I1068 V1070	L1024-L1060 HydrophobicContact CD1-CD2 4.02Å; C1027-L1060 HydrophobicContact CB-CD2 3.79Å; I1056-L1060 HydrophobicContact CG2-CD1 3.74Å; I1056-L1060 HydrophobicContact CG2-CG 4.17Å; I1056-L1060 WeakPolarHBondContact O-CG 3.21Å; I1056-L1060 PolarHBondContact O-N 3.18Å; R1057-L1060 PolarHBondContact O-N 3.27Å; I1058-L1060 PolarHBondContact O-N 3.46Å; L1060-N1062 VanDerWaalsContact C-N 3.27Å; L1060-N1062 PolarHBondContact O-N 2.89Å; L1060-V1063 WeakPolarHBondContact O-CG2 3.46Å; L1060-V1063 PolarHBondContact O-N 3.46Å; L1060-D1064 PolarHBondContact O-N 3.49Å; L1060-L1065 HydrophobicContact CD2-CB 4.08Å; L1060-L1065 PolarHBondContact O-N 3.27Å; L1060-I1068 HydrophobicContact CD1-CB 4.1Å; L1060-I1068 HydrophobicContact CD1-CG2 4.02Å; L1060-I1068 HydrophobicContact CD2-CD1 4.2Å; L1060-V1070 HydrophobicContact CD1-CG2 3.55Å
1061	R	91.6	Very high	92.2	Very high	178 Å²	178	49.4 Å²	49.4	67%	0.672	24%	0.235	S	C	*	.	H	α-helix	trans	-62	-35.2	171.4	179.4	178.7	-77.5	-176	-5.7	111.7	R1057 I1058 V1063 D1064	R1057-R1061 WeakPolarHBondContact O-CB 3.34Å; R1057-R1061 PolarHBondContact O-N 2.74Å; I1058-R1061 PolarHBondContact O-N 2.74Å; R1061-V1063 PolarHBondContact O-N 3.32Å; R1061-D1064 PolarHBondContact O-N 2.94Å
1062	N	89.7	Confident	92.2	Very high	95 Å²	95	49.7 Å²	49.7	51%	0.508	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-2.6	178.9	-64.7	-8.4	0	0	0	114.3	I1058 L1059 L1060	I1058-N1062 VanDerWaalsContact O-CG 3.31Å; I1058-N1062 PolarHBondContact O-N 3.4Å; I1058-N1062 PolarHBondContact O-OD1 3.16Å; L1059-N1062 PolarHBondContact O-N 2.97Å; L1060-N1062 VanDerWaalsContact C-N 3.27Å; L1060-N1062 PolarHBondContact O-N 2.89Å
1063	V	90.7	Very high	92	Very high	49 Å²	49	49.7 Å²	49.7	30%	0.297	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	18.4	177	-60.5	0	0	0	0	112.3	L1024 L1060 R1061 L1065	L1024-V1063 HydrophobicContact CD1-CG1 4.12Å; L1024-V1063 HydrophobicContact CD1-CG2 3.54Å; L1060-V1063 WeakPolarHBondContact O-CG2 3.46Å; L1060-V1063 PolarHBondContact O-N 3.46Å; R1061-V1063 PolarHBondContact O-N 3.32Å; V1063-L1065 HydrophobicContact CG2-CB 4.08Å; V1063-L1065 HydrophobicContact CG2-CD1 3.98Å; V1063-L1065 HydrophobicContact CG2-CG 3.91Å; V1063-L1065 PolarHBondContact O-N 2.82Å; V1063-L1065 VanDerWaalsContact O-N 3.08Å
1064	D	89.7	Confident	91.6	Very high	129 Å²	129	51.7 Å²	51.7	69%	0.69	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	19.4	179.9	-58	-51.1	0	0	0	116.1	L1060 R1061 M1066	L1060-D1064 PolarHBondContact O-N 3.49Å; R1061-D1064 PolarHBondContact O-N 2.94Å; D1064-M1066 VanDerWaalsContact C-N 3.3Å; D1064-M1066 PolarHBondContact O-N 2.68Å
1065	L	92.9	Very high	91.3	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.068	25%	0.253	C	S	.	.			trans	-94	41.6	176.9	-63.3	-178.8	0	0	0	112.4	C1027 A1031 L1060 V1063 D1067 I1068	C1027-L1065 HydrophobicContact CB-CD1 4.17Å; A1031-L1065 HydrophobicContact CB-CD1 3.96Å; A1031-L1065 HydrophobicContact CB-CD2 3.58Å; A1031-L1065 HydrophobicContact CB-CG 4.46Å; L1060-L1065 HydrophobicContact CD2-CB 4.08Å; L1060-L1065 PolarHBondContact O-N 3.27Å; V1063-L1065 HydrophobicContact CG2-CB 4.08Å; V1063-L1065 HydrophobicContact CG2-CD1 3.98Å; V1063-L1065 HydrophobicContact CG2-CG 3.91Å; V1063-L1065 PolarHBondContact O-N 2.82Å; V1063-L1065 VanDerWaalsContact O-N 3.08Å; L1065-D1067 VanDerWaalsContact C-N 3.34Å; L1065-D1067 PolarHBondContact O-N 2.9Å; L1065-I1068 HydrophobicContact CB-CD1 3.9Å; L1065-I1068 HydrophobicContact CB-CG1 4.31Å; L1065-I1068 HydrophobicContact CD1-CD1 4.21Å; L1065-I1068 PolarHBondContact O-N 2.94Å
1066	M	88.9	Confident	91.1	Very high	114 Å²	114	52.4 Å²	52.4	56%	0.562	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.2	-171.5	67.8	-173.6	82	0	0	115	D1064 I1068	D1064-M1066 VanDerWaalsContact C-N 3.3Å; D1064-M1066 PolarHBondContact O-N 2.68Å; M1066-I1068 PolarHBondContact O-N 2.93Å
1067	D	91.7	Very high	90.4	Very high	122 Å²	122	53.7 Å²	53.7	65%	0.652	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.9	176	-61	-33.6	0	0	0	113.6	A1040 L1065 K1069	A1040-D1067 HydrophobicContact CB-CB 3.87Å; L1065-D1067 VanDerWaalsContact C-N 3.34Å; L1065-D1067 PolarHBondContact O-N 2.9Å; D1067-K1069 PolarHBondContact O-N 2.83Å
1068	I	95.3	Very high	89.7	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	-65.5	116.4	175.6	-63.9	-173.1	0	0	0	109	C1027 A1040 I1043 V1045 L1060 L1065 M1066 V1070	C1027-I1068 HydrophobicContact CB-CD1 3.66Å; A1040-I1068 HydrophobicContact CB-CG1 3.82Å; A1040-I1068 WeakPolarHBondContact O-CA 3.41Å; A1040-I1068 WeakPolarHBondContact O-CG1 3.3Å; I1043-I1068 HydrophobicContact CB-CD1 4.25Å; I1043-I1068 HydrophobicContact CB-CG1 4.23Å; I1043-I1068 HydrophobicContact CB-CG2 4.2Å; I1043-I1068 HydrophobicContact CD1-CD1 4.01Å; I1043-I1068 HydrophobicContact CG2-CD1 4.27Å; I1043-I1068 HydrophobicContact CG2-CG2 3.98Å; V1045-I1068 HydrophobicContact CG2-CG2 3.8Å; L1060-I1068 HydrophobicContact CD1-CB 4.1Å; L1060-I1068 HydrophobicContact CD1-CG2 4.02Å; L1060-I1068 HydrophobicContact CD2-CD1 4.2Å; L1065-I1068 HydrophobicContact CB-CD1 3.9Å; L1065-I1068 HydrophobicContact CB-CG1 4.31Å; L1065-I1068 HydrophobicContact CD1-CD1 4.21Å; L1065-I1068 PolarHBondContact O-N 2.94Å; M1066-I1068 PolarHBondContact O-N 2.93Å; I1068-V1070 PolarHBondContact O-N 3.33Å; I1068-V1070 VanDerWaalsContact O-N 3.16Å
1069	K	94.5	Very high	89.5	Confident	58 Å²	58	51.1 Å²	51.1	25%	0.252	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.4	177	176.8	67.3	-171.6	172.7	0	109.4	I1043 V1045 D1067 E1075 F1076 Y1081	I1043-K1069 PolarHBondContact O-N 2.89Å; V1045-K1069 PolarHBondContact N-O 2.82Å; D1067-K1069 PolarHBondContact O-N 2.83Å; K1069-E1075 IonicContact NZ-OE2 3.19Å; K1069-E1075 PolarHBondContact NZ-OE2 2.77Å; K1069-F1076 HydrophobicContact CB-CE1 4.45Å; K1069-F1076 HydrophobicContact CB-CZ 4.09Å; K1069-F1076 HydrophobicContact CG-CE1 3.95Å; K1069-F1076 HydrophobicContact CG-CE2 3.96Å; K1069-F1076 HydrophobicContact CG-CZ 3.49Å; K1069-F1076 VanDerWaalsContact CG-CZ 3.49Å; K1069-F1076 WeakPolarHBondContact O-CZ 3.33Å; K1069-Y1081 HydrophobicContact CB-CE1 4Å; K1069-Y1081 WeakPolarHBondContact CB-OH 3.43Å; K1069-Y1081 WeakPolarHBondContact CG-OH 3.48Å
1070	V	95.6	Very high	89.4	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.8	169.5	-165.4	0	0	0	0	109.4	V1045 V1053 I1056 R1057 L1060 I1068	V1045-V1070 HydrophobicContact CB-CB 4.37Å; V1045-V1070 HydrophobicContact CB-CG1 4.04Å; V1045-V1070 HydrophobicContact CB-CG2 4.18Å; V1045-V1070 HydrophobicContact CG1-CG1 4.02Å; V1045-V1070 HydrophobicContact CG2-CG2 4.48Å; V1045-V1070 WeakPolarHBondContact O-CA 3.47Å; V1053-V1070 HydrophobicContact CB-CG1 4.25Å; V1053-V1070 HydrophobicContact CG1-CB 4.23Å; V1053-V1070 HydrophobicContact CG1-CG1 3.89Å; V1053-V1070 HydrophobicContact CG2-CG1 4.43Å; I1056-V1070 HydrophobicContact CB-CG1 4.11Å; I1056-V1070 HydrophobicContact CG2-CG1 3.93Å; I1056-V1070 HydrophobicContact CG2-CG2 3.96Å; R1057-V1070 HydrophobicContact CG-CB 3.92Å; R1057-V1070 HydrophobicContact CG-CG2 3.98Å; R1057-V1070 PolarHBondContact NE-O 2.68Å; R1057-V1070 PolarHBondContact NH2-O 3.45Å; L1060-V1070 HydrophobicContact CD1-CG2 3.55Å; I1068-V1070 PolarHBondContact O-N 3.33Å; I1068-V1070 VanDerWaalsContact O-N 3.16Å
1071	G	91.8	Very high	89.4	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	-178.8	-178.9	0	0	0	0	0	115.1	V1045 I1046 T1047 E1075	V1045-G1071 PolarHBondContact O-N 2.85Å; I1046-G1071 WeakPolarHBondContact CA-O 3.48Å; T1047-G1071 PolarHBondContact N-O 2.94Å; G1071-E1075 WeakPolarHBondContact CA-OE1 3.37Å
1072	S	88.9	Confident	89.7	Confident	26 Å²	26	49 Å²	49	18%	0.182	26%	0.26	C	S	.	.			trans	-80.8	168.4	172.5	83.7	0	0	0	0	112.5	T1047 E1074 E1075 F1076	T1047-S1072 WeakPolarHBondContact O-CA 3.43Å; S1072-E1074 VanDerWaalsContact CB-OE2 3.26Å; S1072-E1074 WeakPolarHBondContact CB-OE2 3.27Å; S1072-E1074 PolarHBondContact O-N 2.92Å; S1072-E1074 PolarHBondContact OG-OE2 3.16Å; S1072-E1075 PolarHBondContact N-OE1 3.28Å; S1072-E1075 VanDerWaalsContact N-OE1 3.08Å; S1072-E1075 WeakPolarHBondContact O-CB 3.18Å; S1072-E1075 PolarHBondContact O-N 3.22Å; S1072-F1076 WeakPolarHBondContact O-CD2 3.14Å; S1072-F1076 PolarHBondContact O-N 3Å
1073	V	87.2	Confident	90	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.7	-179	178.3	0	0	0	0	112.3	L899 I1046 F1076 Q1077 F1105 R1111 V1114 A1115	L899-V1073 HydrophobicContact CD1-CB 4.42Å; L899-V1073 HydrophobicContact CD1-CG1 3.82Å; I1046-V1073 HydrophobicContact CG2-CG2 3.51Å; V1073-F1076 PolarHBondContact O-N 3.05Å; V1073-Q1077 PolarHBondContact O-N 3.02Å; V1073-F1105 HydrophobicContact CG2-CE2 3.55Å; V1073-F1105 HydrophobicContact CG2-CZ 3.75Å; V1073-R1111 HydrophobicContact CG1-CB 4.45Å; V1073-R1111 WeakPolarHBondContact CG1-O 3.48Å; V1073-V1114 HydrophobicContact CG1-CB 3.63Å; V1073-V1114 HydrophobicContact CG1-CG1 3.52Å; V1073-A1115 HydrophobicContact CG2-CB 4Å
1074	E	84.5	Confident	90.3	Very high	50 Å²	50	42.1 Å²	42.1	23%	0.234	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-41.8	174.4	-62.3	71.1	-162.1	0	0	111.9	L899 S1072 F1076 Q1077 R1111	L899-E1074 HydrophobicContact CD1-CG 4Å; S1072-E1074 VanDerWaalsContact CB-OE2 3.26Å; S1072-E1074 WeakPolarHBondContact CB-OE2 3.27Å; S1072-E1074 PolarHBondContact O-N 2.92Å; S1072-E1074 PolarHBondContact OG-OE2 3.16Å; E1074-F1076 PolarHBondContact O-N 3.17Å; E1074-Q1077 WeakPolarHBondContact O-CB 3.35Å; E1074-Q1077 PolarHBondContact O-N 3.41Å; E1074-R1111 IonicContact OE1-CZ 3.59Å; E1074-R1111 IonicContact OE1-NE 3.27Å; E1074-R1111 PolarHBondContact OE1-NE 3.15Å; E1074-R1111 IonicContact OE1-NH2 2.86Å; E1074-R1111 PolarHBondContact OE1-NH2 2.75Å
1075	E	84.4	Confident	90.7	Very high	74 Å²	74	36 Å²	36	35%	0.346	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-24.5	176.6	-67	-178.1	-112.1	0	0	113.1	R1057 K1069 G1071 S1072	R1057-E1075 IonicContact NH2-OE2 2.72Å; K1069-E1075 IonicContact NZ-OE2 3.19Å; K1069-E1075 PolarHBondContact NZ-OE2 2.77Å; G1071-E1075 WeakPolarHBondContact CA-OE1 3.37Å; S1072-E1075 PolarHBondContact N-OE1 3.28Å; S1072-E1075 VanDerWaalsContact N-OE1 3.08Å; S1072-E1075 WeakPolarHBondContact O-CB 3.18Å; S1072-E1075 PolarHBondContact O-N 3.22Å
1076	F	87.8	Confident	90.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1	178.2	-82.4	-93.7	0	0	0	113.5	V1045 I1046 K1069 S1072 V1073 E1074 Q1079 Y1081 I1084 R1118	V1045-F1076 VanDerWaalsContact O-CE2 3.24Å; V1045-F1076 WeakPolarHBondContact O-CE2 3.32Å; V1045-F1076 WeakPolarHBondContact O-CZ 3.41Å; I1046-F1076 HydrophobicContact CD1-CB 4.27Å; I1046-F1076 HydrophobicContact CD1-CD1 4.22Å; I1046-F1076 HydrophobicContact CD1-CD2 4.43Å; I1046-F1076 HydrophobicContact CD1-CG 4.05Å; I1046-F1076 HydrophobicContact CG1-CB 4.45Å; I1046-F1076 HydrophobicContact CG1-CD1 4.02Å; I1046-F1076 HydrophobicContact CG1-CD2 3.71Å; I1046-F1076 HydrophobicContact CG1-CE1 4.14Å; I1046-F1076 HydrophobicContact CG1-CE2 3.81Å; I1046-F1076 HydrophobicContact CG1-CG 3.79Å; I1046-F1076 HydrophobicContact CG1-CZ 4.02Å; K1069-F1076 HydrophobicContact CB-CE1 4.45Å; K1069-F1076 HydrophobicContact CB-CZ 4.09Å; K1069-F1076 HydrophobicContact CG-CE1 3.95Å; K1069-F1076 HydrophobicContact CG-CE2 3.96Å; K1069-F1076 HydrophobicContact CG-CZ 3.49Å; K1069-F1076 VanDerWaalsContact CG-CZ 3.49Å; K1069-F1076 WeakPolarHBondContact O-CZ 3.33Å; S1072-F1076 WeakPolarHBondContact O-CD2 3.14Å; S1072-F1076 PolarHBondContact O-N 3Å; V1073-F1076 PolarHBondContact O-N 3.05Å; E1074-F1076 PolarHBondContact O-N 3.17Å; F1076-Q1079 PolarHBondContact O-N 3.36Å; F1076-Q1079 VanDerWaalsContact O-N 3.16Å; F1076-Y1081 AromaticContact CD1-CD2 3.89Å; F1076-Y1081 HydrophobicContact CD1-CD2 3.89Å; F1076-Y1081 AromaticContact CD1-CE2 3.56Å; F1076-Y1081 HydrophobicContact CD1-CE2 3.56Å; F1076-Y1081 AromaticContact CE1-CD2 3.67Å; F1076-Y1081 HydrophobicContact CE1-CD2 3.67Å; F1076-Y1081 AromaticContact CE1-CE2 3.36Å; F1076-Y1081 HydrophobicContact CE1-CE2 3.36Å; F1076-I1084 HydrophobicContact CD1-CD1 4.28Å; F1076-I1084 HydrophobicContact CE1-CD1 4.06Å; F1076-R1118 HydrophobicContact CB-CG 4.22Å; F1076-R1118 WeakPolarHBondContact O-CD 3.38Å
1077	Q	81.9	Confident	91.2	Very high	28 Å²	28	30.3 Å²	30.3	13%	0.131	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	139.8	178.8	-169.8	155	6.3	0	0	110.8	Q870 L899 V1073 E1074 Q1079	Q870-Q1077 VanDerWaalsContact CG-NE2 3.28Å; L899-Q1077 PolarHBondContact O-NE2 3.39Å; V1073-Q1077 PolarHBondContact O-N 3.02Å; E1074-Q1077 WeakPolarHBondContact O-CB 3.35Å; E1074-Q1077 PolarHBondContact O-N 3.41Å; Q1077-Q1079 PolarHBondContact O-N 2.6Å
1078	G	78.5	Confident	91.2	Very high	50 Å²	50	24.8 Å²	24.8	52%	0.515	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-30.5	-169.2	0	0	0	0	0	115.3
1079	Q	86.4	Confident	90.9	Very high	73 Å²	73	24.5 Å²	24.5	34%	0.341	13%	0.13	S	C	.	.			trans	-76.8	169.6	-177.2	-54.8	-171.2	-5.7	0	0	113.5	F1076 Q1077 Y1081 R1118	F1076-Q1079 PolarHBondContact O-N 3.36Å; F1076-Q1079 VanDerWaalsContact O-N 3.16Å; Q1077-Q1079 PolarHBondContact O-N 2.6Å; Q1079-Y1081 HydrophobicContact CB-CE2 3.87Å; Q1079-Y1081 PolarHBondContact OE1-OH 2.86Å; Q1079-R1118 VanDerWaalsContact O-CD 3.3Å; Q1079-R1118 WeakPolarHBondContact O-CD 3.44Å; Q1079-R1118 PolarHBondContact O-NH1 3.43Å
1080	E	90.8	Very high	90.6	Very high	78 Å²	78	22.2 Å²	22.2	36%	0.364	12%	0.12	S	C	.	.			trans	-157.9	144.6	176.3	50.1	175.8	-121.2	0	0	110	R953 R1118 K1120	R953-E1080 IonicContact CZ-OE2 3.24Å; R953-E1080 IonicContact NE-OE2 3.74Å; R953-E1080 PolarHBondContact NE-OE2 3.39Å; R953-E1080 IonicContact NH2-OE2 2.99Å; R953-E1080 PolarHBondContact NH2-OE2 2.95Å; E1080-R1118 WeakPolarHBondContact CA-O 3.48Å; E1080-K1120 VanDerWaalsContact CD-CE 3.49Å; E1080-K1120 WeakPolarHBondContact OE1-CE 3.45Å; E1080-K1120 IonicContact OE1-NZ 3.85Å; E1080-K1120 PolarHBondContact OE1-NZ 3.29Å
1081	Y	95.8	Very high	90	Very high	31 Å²	31	22.1 Å²	22.1	12%	0.122	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.5	-175.4	-69.2	-97.5	0	0	0	110.4	S1041 K1069 F1076 Q1079 V1083 I1084 R1118 P1119 K1120	S1041-Y1081 WeakPolarHBondContact O-CD1 3.5Å; S1041-Y1081 WeakPolarHBondContact O-CE1 3.31Å; K1069-Y1081 HydrophobicContact CB-CE1 4Å; K1069-Y1081 WeakPolarHBondContact CB-OH 3.43Å; K1069-Y1081 WeakPolarHBondContact CG-OH 3.48Å; F1076-Y1081 AromaticContact CD1-CD2 3.89Å; F1076-Y1081 HydrophobicContact CD1-CD2 3.89Å; F1076-Y1081 AromaticContact CD1-CE2 3.56Å; F1076-Y1081 HydrophobicContact CD1-CE2 3.56Å; F1076-Y1081 AromaticContact CE1-CD2 3.67Å; F1076-Y1081 HydrophobicContact CE1-CD2 3.67Å; F1076-Y1081 AromaticContact CE1-CE2 3.36Å; F1076-Y1081 HydrophobicContact CE1-CE2 3.36Å; Q1079-Y1081 HydrophobicContact CB-CE2 3.87Å; Q1079-Y1081 PolarHBondContact OE1-OH 2.86Å; Y1081-V1083 VanDerWaalsContact C-N 3.35Å; Y1081-I1084 HydrophobicContact CD2-CD1 3.94Å; Y1081-I1084 HydrophobicContact CG-CD1 4.17Å; Y1081-R1118 PolarHBondContact N-O 3.31Å; Y1081-R1118 VanDerWaalsContact N-O 3.14Å; Y1081-P1119 CarbonylContact O-C 3.57Å; Y1081-P1119 WeakPolarHBondContact O-CA 3.49Å; Y1081-K1120 WeakPolarHBondContact O-CG 3.38Å; Y1081-K1120 PolarHBondContact O-N 3.36Å
1082	L	95.9	Very high	89.4	Confident	29 Å²	29	23.6 Å²	23.6	15%	0.152	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-46.1	176.7	-169.5	69.1	0	0	0	110.5	V979 L983 V1038 D1042 K1120 A1121 L1122	V979-L1082 HydrophobicContact CG1-CD1 3.85Å; L983-L1082 HydrophobicContact CD1-CD2 4.26Å; L983-L1082 HydrophobicContact CD1-CG 4.3Å; V1038-L1082 HydrophobicContact CG1-CD2 4.11Å; V1038-L1082 HydrophobicContact CG2-CD2 4.41Å; D1042-L1082 HydrophobicContact CB-CB 3.89Å; D1042-L1082 PolarHBondContact O-N 2.78Å; L1082-K1120 HydrophobicContact CD1-CB 4.38Å; L1082-A1121 HydrophobicContact CD1-CB 3.58Å; L1082-A1121 HydrophobicContact CG-CB 4.03Å; L1082-A1121 PolarHBondContact O-N 2.84Å; L1082-L1122 PolarHBondContact O-N 2.91Å
1083	V	97	Very high	88.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.1	177.7	-170.2	0	0	0	0	110.7	L983 L1030 V1038 D1042 I1043 G1044 Y1081 L1122	L983-V1083 HydrophobicContact CD1-CG2 3.47Å; L983-V1083 VanDerWaalsContact CD1-CG2 3.47Å; L1030-V1083 HydrophobicContact CD1-CB 4.45Å; L1030-V1083 HydrophobicContact CD1-CG1 3.77Å; L1030-V1083 HydrophobicContact CD1-CG2 4.45Å; L1030-V1083 HydrophobicContact CD2-CG2 4.4Å; V1038-V1083 HydrophobicContact CG1-CG2 4.1Å; V1038-V1083 HydrophobicContact CG2-CG2 4.29Å; D1042-V1083 PolarHBondContact O-N 3.33Å; D1042-V1083 VanDerWaalsContact O-N 3.08Å; I1043-V1083 HydrophobicContact CG1-CB 4.45Å; G1044-V1083 PolarHBondContact N-O 3.23Å; Y1081-V1083 VanDerWaalsContact C-N 3.35Å; V1083-L1122 WeakPolarHBondContact CA-O 3.32Å; V1083-L1122 HydrophobicContact CB-CB 4.48Å; V1083-L1122 HydrophobicContact CG1-CB 4.04Å; V1083-L1122 HydrophobicContact CG1-CD2 3.91Å; V1083-L1122 HydrophobicContact CG1-CG 3.96Å; V1083-L1122 HydrophobicContact CG2-CB 4.17Å; V1083-L1122 HydrophobicContact CG2-CD2 4.33Å
1084	I	97.6	Very high	87.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134	168.5	-66	-71.9	0	0	0	110.6	G1044 I1046 F1076 Y1081 I1086 R1118 P1119 L1122 L1123 I1124	G1044-I1084 CarbonylContact O-C 3.47Å; G1044-I1084 VanDerWaalsContact O-CA 3.3Å; G1044-I1084 WeakPolarHBondContact O-CA 3.06Å; I1046-I1084 HydrophobicContact CD1-CD1 4.3Å; I1046-I1084 HydrophobicContact CD1-CG2 3.71Å; I1046-I1084 HydrophobicContact CG1-CG2 4.11Å; F1076-I1084 HydrophobicContact CD1-CD1 4.28Å; F1076-I1084 HydrophobicContact CE1-CD1 4.06Å; Y1081-I1084 HydrophobicContact CD2-CD1 3.94Å; Y1081-I1084 HydrophobicContact CG-CD1 4.17Å; I1084-I1086 HydrophobicContact CG2-CG1 3.93Å; I1084-R1118 HydrophobicContact CD1-CB 3.66Å; I1084-R1118 HydrophobicContact CG1-CB 3.65Å; I1084-P1119 HydrophobicContact CB-CB 3.9Å; I1084-P1119 HydrophobicContact CB-CG 4.24Å; I1084-P1119 HydrophobicContact CG1-CB 3.76Å; I1084-P1119 HydrophobicContact CG1-CG 4.28Å; I1084-L1122 PolarHBondContact N-O 3.35Å; I1084-L1123 HydrophobicContact CB-CD1 4.15Å; I1084-L1123 HydrophobicContact CG2-CD1 3.94Å; I1084-L1123 WeakPolarHBondContact O-CA 3.46Å; I1084-I1124 PolarHBondContact O-N 3.26Å
1085	I	98	Very high	86.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.3	171.6	-49.6	179.8	0	0	0	108.3	V1023 L1030 I1043 G1044 V1045 I1046 I1124 L1126	V1023-I1085 HydrophobicContact CG1-CG2 4.39Å; V1023-I1085 HydrophobicContact CG2-CG2 4.07Å; L1030-I1085 HydrophobicContact CD1-CD1 4.38Å; I1043-I1085 HydrophobicContact CG2-CD1 4.32Å; G1044-I1085 PolarHBondContact O-N 3.14Å; V1045-I1085 CarbonylContact C-O 3.58Å; V1045-I1085 WeakPolarHBondContact CA-O 3.49Å; V1045-I1085 HydrophobicContact CG2-CB 4.37Å; I1046-I1085 PolarHBondContact N-O 3.36Å; I1085-I1124 CarbonylContact C-O 3.51Å; I1085-I1124 VanDerWaalsContact CA-O 3.31Å; I1085-I1124 WeakPolarHBondContact CA-O 3.4Å; I1085-I1124 HydrophobicContact CG1-CB 4.25Å; I1085-I1124 HydrophobicContact CG1-CD1 4.4Å; I1085-I1124 HydrophobicContact CG2-CB 4.29Å; I1085-I1124 HydrophobicContact CG2-CG2 4.3Å; I1085-L1126 HydrophobicContact CG2-CD1 4.17Å; I1085-L1126 HydrophobicContact CG2-CG 4.28Å
1086	I	96.1	Very high	84.8	Confident	9 Å²	9	39.2 Å²	39.2	5%	0.046	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.6	177.1	-55.3	-179.2	0	0	0	109.3	I1046 I1084 T1088 A1115 I1116 L1123 I1124 V1125 L1126	I1046-I1086 HydrophobicContact CB-CG1 4.34Å; I1046-I1086 WeakPolarHBondContact O-CA 3.43Å; I1084-I1086 HydrophobicContact CG2-CG1 3.93Å; I1086-T1088 HydrophobicContact CG2-CG2 4.41Å; I1086-A1115 HydrophobicContact CD1-CB 3.89Å; I1086-I1116 HydrophobicContact CD1-CG2 4.19Å; I1086-L1123 HydrophobicContact CD1-CD1 3.9Å; I1086-L1123 HydrophobicContact CG1-CD1 4.06Å; I1086-I1124 PolarHBondContact N-O 2.99Å; I1086-V1125 HydrophobicContact CB-CG1 4.38Å; I1086-V1125 HydrophobicContact CB-CG2 4.34Å; I1086-V1125 HydrophobicContact CD1-CG2 4.27Å; I1086-L1126 PolarHBondContact O-N 3.3Å
1087	S	95	Very high	82.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.8	168.1	167.5	0	0	0	0	109.9	E1019 I1046 T1047 P1048 Q1052	E1019-S1087 WeakPolarHBondContact OE2-CA 3.46Å; E1019-S1087 WeakPolarHBondContact OE2-CB 3.47Å; E1019-S1087 PolarHBondContact OE2-OG 3.45Å; I1046-S1087 PolarHBondContact O-N 3.2Å; T1047-S1087 WeakPolarHBondContact CB-O 3.38Å; T1047-S1087 PolarHBondContact OG1-O 3.27Å; P1048-S1087 VanDerWaalsContact CD-O 3.22Å; P1048-S1087 WeakPolarHBondContact CD-O 3.39Å; Q1052-S1087 PolarHBondContact NE2-OG 3.49Å; Q1052-S1087 VanDerWaalsContact NE2-OG 3.1Å
1088	T	91.6	Very high	81.5	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.037	24%	0.242	C	C	.	.			trans	-86.3	-17.7	-175.9	62.3	0	0	0	0	114	E1019 I1086 R1090 L1106 L1126 G1127 L1132	E1019-T1088 PolarHBondContact OE2-N 3.37Å; I1086-T1088 HydrophobicContact CG2-CG2 4.41Å; T1088-R1090 PolarHBondContact O-N 3Å; T1088-L1106 HydrophobicContact CG2-CD2 3.87Å; T1088-L1126 WeakPolarHBondContact CG2-O 3.07Å; T1088-L1126 PolarHBondContact N-O 3.39Å; T1088-L1126 PolarHBondContact OG1-O 2.97Å; T1088-G1127 WeakPolarHBondContact OG1-CA 3.47Å; T1088-L1132 HydrophobicContact CG2-CD2 4.34Å
1089	V	90	Very high	80.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.23	C	C	.	.			trans	67.5	-44.5	175.1	-173.4	0	0	0	0	115.3	W1014 N1016 E1019 T1047 Y1049 Q1052 S1091	W1014-V1089 HydrophobicContact CB-CG1 4.29Å; N1016-V1089 HydrophobicContact CB-CB 4.36Å; N1016-V1089 HydrophobicContact CB-CG1 3.76Å; N1016-V1089 WeakPolarHBondContact CB-O 3.3Å; N1016-V1089 PolarHBondContact ND2-O 3.01Å; N1016-V1089 VanDerWaalsContact ND2-O 3.07Å; E1019-V1089 VanDerWaalsContact CD-N 3.3Å; E1019-V1089 WeakPolarHBondContact OE1-CA 3.42Å; E1019-V1089 PolarHBondContact OE1-N 3.46Å; E1019-V1089 PolarHBondContact OE2-N 3.08Å; T1047-V1089 WeakPolarHBondContact OG1-CG2 3.34Å; Y1049-V1089 HydrophobicContact CD2-CB 3.6Å; Y1049-V1089 HydrophobicContact CD2-CG1 3.87Å; Y1049-V1089 HydrophobicContact CD2-CG2 3.73Å; Y1049-V1089 HydrophobicContact CE2-CB 3.92Å; Y1049-V1089 HydrophobicContact CE2-CG1 4.3Å; Y1049-V1089 HydrophobicContact CE2-CG2 4.45Å; Q1052-V1089 HydrophobicContact CB-CG2 3.75Å; Q1052-V1089 HydrophobicContact CG-CG2 3.53Å; V1089-S1091 PolarHBondContact O-N 3.22Å
1090	R	86.9	Confident	78.4	Confident	10 Å²	10	54.6 Å²	54.6	4%	0.038	24%	0.243	C	C	.	.			trans	-78.5	122	-168.8	-56.6	-53.3	-62.2	-72.3	-7.1	111.6	E1005 Y1049 T1088 F1102 L1103	E1005-R1090 IonicContact OE1-CZ 2.71Å; E1005-R1090 IonicContact OE1-NE 2.76Å; E1005-R1090 PolarHBondContact OE1-NE 3.31Å; E1005-R1090 VanDerWaalsContact OE1-NE 3.11Å; E1005-R1090 IonicContact OE1-NH2 2.67Å; E1005-R1090 PolarHBondContact OE1-NH2 2.83Å; E1005-R1090 VanDerWaalsContact OE2-CA 3.29Å; E1005-R1090 WeakPolarHBondContact OE2-CA 3.44Å; E1005-R1090 IonicContact OE2-CZ 2.99Å; E1005-R1090 IonicContact OE2-NE 3.72Å; E1005-R1090 PolarHBondContact OE2-NE 3.34Å; E1005-R1090 IonicContact OE2-NH2 2.75Å; Y1049-R1090 HydrophobicContact CE2-CG 3.8Å; Y1049-R1090 WeakPolarHBondContact OH-CD 3.08Å; Y1049-R1090 WeakPolarHBondContact OH-CG 3.36Å; Y1049-R1090 PolarHBondContact OH-NH1 2.96Å; T1088-R1090 PolarHBondContact O-N 3Å; R1090-F1102 PolarHBondContact NH1-O 2.9Å; R1090-F1102 VanDerWaalsContact NH2-CE2 3.34Å; R1090-L1103 HydrophobicContact CB-CD2 4.42Å
1091	S	84.6	Confident	76.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	26%	0.264	C	S	.	.			trans	-134.3	0.5	-169.1	-74.7	0	0	0	0	114	R404 G1003 E1005 N1016 V1089 N1128	R404-S1091 PolarHBondContact NH2-O 2.74Å; G1003-S1091 PolarHBondContact N-OG 2.96Å; G1003-S1091 VanDerWaalsContact N-OG 3.14Å; G1003-S1091 WeakPolarHBondContact O-CB 3.44Å; E1005-S1091 PolarHBondContact OE2-N 3.43Å; N1016-S1091 PolarHBondContact ND2-OG 3.08Å; N1016-S1091 VanDerWaalsContact ND2-OG 3.17Å; V1089-S1091 PolarHBondContact O-N 3.22Å; S1091-N1128 PolarHBondContact O-ND2 3.21Å; S1091-N1128 VanDerWaalsContact O-ND2 3.13Å
1092	N	79.6	Confident	74.1	Confident	32 Å²	32	60.8 Å²	60.8	17%	0.171	27%	0.266	C	S	.	.			trans	-71.8	130.2	173.5	-169	2	0	0	0	112.3	E1005 D1094 F1102 V1131	E1005-N1092 HydrophobicContact CG-CB 4.4Å; E1005-N1092 PolarHBondContact OE2-N 3.3Å; E1005-N1092 VanDerWaalsContact OE2-N 3.14Å; N1092-D1094 PolarHBondContact ND2-OD2 2.61Å; N1092-D1094 PolarHBondContact OD1-N 2.76Å; N1092-D1094 PolarHBondContact OD1-OD2 3.36Å; N1092-F1102 HydrophobicContact CB-CE1 4.13Å; N1092-F1102 HydrophobicContact CB-CZ 3.85Å; N1092-V1131 WeakPolarHBondContact O-CG2 3.18Å
1093	E	74.6	Confident	72.1	Confident	54 Å²	54	59.6 Å²	59.6	25%	0.252	26%	0.26	S	S	.	.			trans	-101.6	7.8	-179.3	-73	174.5	-134.8	0	0	114	R1002 N1128 H1130 V1131 R1134	R1002-E1093 IonicContact CZ-OE1 3.82Å; R1002-E1093 IonicContact CZ-OE2 3.57Å; R1002-E1093 IonicContact NH1-OE1 2.74Å; R1002-E1093 PolarHBondContact NH1-OE1 2.88Å; R1002-E1093 IonicContact NH1-OE2 3Å; R1002-E1093 PolarHBondContact NH1-OE2 3Å; E1093-N1128 PolarHBondContact OE1-ND2 2.96Å; E1093-H1130 HydrophobicContact CG-CB 4.13Å; E1093-V1131 HydrophobicContact CG-CG2 4.02Å; E1093-R1134 PolarHBondContact O-NH1 3.4Å; E1093-R1134 PolarHBondContact O-NH2 3.1Å
1094	D	68.4	Low	70.3	Confident	96 Å²	96	61.3 Å²	61.3	51%	0.513	28%	0.278	S	S	.	.			trans	-63.2	166.1	173.4	-64.3	-35	0	0	0	112.8	N1092 F1096 R1134	N1092-D1094 PolarHBondContact ND2-OD2 2.61Å; N1092-D1094 PolarHBondContact OD1-N 2.76Å; N1092-D1094 PolarHBondContact OD1-OD2 3.36Å; D1094-F1096 HydrophobicContact CB-CE2 3.79Å; D1094-F1096 HydrophobicContact CB-CZ 3.93Å; D1094-R1134 PolarHBondContact O-NH1 2.87Å
1095	R	51.4	Low	68.5	Low	237 Å²	237	62.4 Å²	62.4	89%	0.894	28%	0.282	S	S	*	.			trans	-97.6	133.2	174.3	-69.8	-173.1	-178.7	-175.6	2.2	110.5
1096	F	53.5	Low	66.7	Low	90 Å²	90	63.4 Å²	63.4	40%	0.395	29%	0.288	S	S	.	.			trans	-124.6	157.2	171.7	-59.5	-82.1	0	0	0	109.4	D1094 F1102	D1094-F1096 HydrophobicContact CB-CE2 3.79Å; D1094-F1096 HydrophobicContact CB-CZ 3.93Å; F1096-F1102 HydrophobicContact CD1-CD2 4.32Å; F1096-F1102 HydrophobicContact CD2-CB 4.43Å; F1096-F1102 AromaticContact CD2-CD1 3.97Å; F1096-F1102 HydrophobicContact CD2-CD1 3.97Å; F1096-F1102 AromaticContact CD2-CD2 3.64Å; F1096-F1102 HydrophobicContact CD2-CD2 3.64Å; F1096-F1102 HydrophobicContact CD2-CE1 4.13Å; F1096-F1102 AromaticContact CD2-CE2 3.82Å; F1096-F1102 HydrophobicContact CD2-CE2 3.82Å; F1096-F1102 AromaticContact CD2-CG 3.73Å; F1096-F1102 HydrophobicContact CD2-CG 3.73Å; F1096-F1102 HydrophobicContact CD2-CZ 4.06Å; F1096-F1102 HydrophobicContact CE1-CD2 4.32Å; F1096-F1102 HydrophobicContact CE1-CE2 4.09Å; F1096-F1102 HydrophobicContact CE2-CD1 4.09Å; F1096-F1102 AromaticContact CE2-CD2 3.65Å; F1096-F1102 HydrophobicContact CE2-CD2 3.65Å; F1096-F1102 AromaticContact CE2-CE1 3.76Å; F1096-F1102 HydrophobicContact CE2-CE1 3.76Å; F1096-F1102 AromaticContact CE2-CE2 3.29Å; F1096-F1102 HydrophobicContact CE2-CE2 3.29Å; F1096-F1102 HydrophobicContact CE2-CG 4.04Å; F1096-F1102 AromaticContact CE2-CZ 3.35Å; F1096-F1102 HydrophobicContact CE2-CZ 3.35Å; F1096-F1102 HydrophobicContact CG-CD2 4.01Å; F1096-F1102 HydrophobicContact CG-CE2 4.42Å; F1096-F1102 HydrophobicContact CG-CG 4.28Å; F1096-F1102 HydrophobicContact CZ-CD2 4Å; F1096-F1102 AromaticContact CZ-CE2 3.46Å; F1096-F1102 HydrophobicContact CZ-CE2 3.46Å; F1096-F1102 VanDerWaalsContact CZ-CE2 3.46Å; F1096-F1102 AromaticContact CZ-CZ 3.83Å; F1096-F1102 HydrophobicContact CZ-CZ 3.83Å
1097	E	47.9	Very low	65.3	Low	215 Å²	215	65.7 Å²	65.7	100%	1.005	31%	0.305	S	S	*	.	S	Bend	trans	-77.9	-23.1	-177.1	-62.3	-174.5	141	0	0	113.3
1098	D	51.2	Low	64.5	Low	45 Å²	45	68.4 Å²	68.4	24%	0.241	32%	0.319	C	S	.	.			trans	-133.3	95.4	172.8	-165.6	-18	0	0	0	111.8	R1100 Y1101 F1102	D1098-R1100 PolarHBondContact O-N 2.9Å; D1098-R1100 VanDerWaalsContact O-N 3.08Å; D1098-R1100 WeakPolarHBondContact OD1-CB 3.47Å; D1098-R1100 VanDerWaalsContact OD1-CG 3.31Å; D1098-R1100 WeakPolarHBondContact OD1-CG 3.46Å; D1098-R1100 IonicContact OD1-CZ 2.95Å; D1098-R1100 PolarHBondContact OD1-N 3.4Å; D1098-R1100 IonicContact OD1-NE 2.74Å; D1098-R1100 PolarHBondContact OD1-NE 2.95Å; D1098-R1100 IonicContact OD1-NH2 3.11Å; D1098-R1100 IonicContact OD2-CZ 3.99Å; D1098-R1100 IonicContact OD2-NE 2.91Å; D1098-R1100 PolarHBondContact OD2-NE 2.92Å; D1098-R1100 IonicContact OD2-NH2 3.61Å; D1098-R1100 PolarHBondContact OD2-NH2 2.84Å; D1098-Y1101 HydrophobicContact CB-CD2 4.13Å; D1098-Y1101 PolarHBondContact O-N 3.17Å; D1098-Y1101 WeakPolarHBondContact OD2-CD2 3.41Å; D1098-F1102 PolarHBondContact O-N 2.84Å
1099	D	50.4	Low	64.2	Low	48 Å²	48	71.1 Å²	71.1	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-52.7	-26.5	175.2	-80.6	-34	0	0	0	113.1	F1102 L1103	D1099-F1102 PolarHBondContact O-N 2.81Å; D1099-L1103 HydrophobicContact CB-CD1 4.21Å; D1099-L1103 WeakPolarHBondContact O-CB 3.34Å; D1099-L1103 PolarHBondContact O-N 3.23Å
1100	R	50.8	Low	64.2	Low	166 Å²	166	72.9 Å²	72.9	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-69.3	-44.9	-174.8	-56.6	171.8	-66.1	179.3	1.8	111.6	D1098 F1102 G1104	D1098-R1100 PolarHBondContact O-N 2.9Å; D1098-R1100 VanDerWaalsContact O-N 3.08Å; D1098-R1100 WeakPolarHBondContact OD1-CB 3.47Å; D1098-R1100 VanDerWaalsContact OD1-CG 3.31Å; D1098-R1100 WeakPolarHBondContact OD1-CG 3.46Å; D1098-R1100 IonicContact OD1-CZ 2.95Å; D1098-R1100 PolarHBondContact OD1-N 3.4Å; D1098-R1100 IonicContact OD1-NE 2.74Å; D1098-R1100 PolarHBondContact OD1-NE 2.95Å; D1098-R1100 IonicContact OD1-NH2 3.11Å; D1098-R1100 IonicContact OD2-CZ 3.99Å; D1098-R1100 IonicContact OD2-NE 2.91Å; D1098-R1100 PolarHBondContact OD2-NE 2.92Å; D1098-R1100 IonicContact OD2-NH2 3.61Å; D1098-R1100 PolarHBondContact OD2-NH2 2.84Å; R1100-F1102 VanDerWaalsContact C-N 3.3Å; R1100-G1104 PolarHBondContact O-N 3.26Å
1101	Y	46.8	Very low	64.2	Low	201 Å²	201	76.2 Å²	76.2	79%	0.788	36%	0.358	S	S	*	.	H	α-helix	trans	-67	-34.4	173.8	-77.8	-75.4	0	0	0	111.7	D1098	D1098-Y1101 HydrophobicContact CB-CD2 4.13Å; D1098-Y1101 PolarHBondContact O-N 3.17Å; D1098-Y1101 WeakPolarHBondContact OD2-CD2 3.41Å
1102	F	48	Very low	64.4	Low	39 Å²	39	77.6 Å²	77.6	17%	0.171	37%	0.365	C	S	.	.	H	α-helix	trans	-70.1	-40.7	-180	-162.6	-106.4	0	0	0	112.5	R1090 N1092 F1096 D1098 D1099 R1100	R1090-F1102 PolarHBondContact NH1-O 2.9Å; R1090-F1102 VanDerWaalsContact NH2-CE2 3.34Å; N1092-F1102 HydrophobicContact CB-CE1 4.13Å; N1092-F1102 HydrophobicContact CB-CZ 3.85Å; F1096-F1102 HydrophobicContact CD1-CD2 4.32Å; F1096-F1102 HydrophobicContact CD2-CB 4.43Å; F1096-F1102 AromaticContact CD2-CD1 3.97Å; F1096-F1102 HydrophobicContact CD2-CD1 3.97Å; F1096-F1102 AromaticContact CD2-CD2 3.64Å; F1096-F1102 HydrophobicContact CD2-CD2 3.64Å; F1096-F1102 HydrophobicContact CD2-CE1 4.13Å; F1096-F1102 AromaticContact CD2-CE2 3.82Å; F1096-F1102 HydrophobicContact CD2-CE2 3.82Å; F1096-F1102 AromaticContact CD2-CG 3.73Å; F1096-F1102 HydrophobicContact CD2-CG 3.73Å; F1096-F1102 HydrophobicContact CD2-CZ 4.06Å; F1096-F1102 HydrophobicContact CE1-CD2 4.32Å; F1096-F1102 HydrophobicContact CE1-CE2 4.09Å; F1096-F1102 HydrophobicContact CE2-CD1 4.09Å; F1096-F1102 AromaticContact CE2-CD2 3.65Å; F1096-F1102 HydrophobicContact CE2-CD2 3.65Å; F1096-F1102 AromaticContact CE2-CE1 3.76Å; F1096-F1102 HydrophobicContact CE2-CE1 3.76Å; F1096-F1102 AromaticContact CE2-CE2 3.29Å; F1096-F1102 HydrophobicContact CE2-CE2 3.29Å; F1096-F1102 HydrophobicContact CE2-CG 4.04Å; F1096-F1102 AromaticContact CE2-CZ 3.35Å; F1096-F1102 HydrophobicContact CE2-CZ 3.35Å; F1096-F1102 HydrophobicContact CG-CD2 4.01Å; F1096-F1102 HydrophobicContact CG-CE2 4.42Å; F1096-F1102 HydrophobicContact CG-CG 4.28Å; F1096-F1102 HydrophobicContact CZ-CD2 4Å; F1096-F1102 AromaticContact CZ-CE2 3.46Å; F1096-F1102 HydrophobicContact CZ-CE2 3.46Å; F1096-F1102 VanDerWaalsContact CZ-CE2 3.46Å; F1096-F1102 AromaticContact CZ-CZ 3.83Å; F1096-F1102 HydrophobicContact CZ-CZ 3.83Å; D1098-F1102 PolarHBondContact O-N 2.84Å; D1099-F1102 PolarHBondContact O-N 2.81Å; R1100-F1102 VanDerWaalsContact C-N 3.3Å
1103	L	54.7	Low	65	Low	3 Å²	3	76 Å²	76	2%	0.016	36%	0.356	C	S	.	.	H	α-helix	trans	-98.4	-32.1	-169.4	-69.4	159.3	0	0	0	114.4	R1090 D1099 F1105 L1106 V1131 L1135	R1090-L1103 HydrophobicContact CB-CD2 4.42Å; D1099-L1103 HydrophobicContact CB-CD1 4.21Å; D1099-L1103 WeakPolarHBondContact O-CB 3.34Å; D1099-L1103 PolarHBondContact O-N 3.23Å; L1103-F1105 VanDerWaalsContact C-N 3.26Å; L1103-F1105 PolarHBondContact O-N 2.91Å; L1103-L1106 HydrophobicContact CD2-CD1 4.02Å; L1103-L1106 PolarHBondContact O-N 2.89Å; L1103-V1131 HydrophobicContact CD2-CG1 3.5Å; L1103-V1131 VanDerWaalsContact CD2-CG1 3.5Å; L1103-L1135 HydrophobicContact CB-CD2 4.16Å; L1103-L1135 HydrophobicContact CD1-CD2 3.58Å; L1103-L1135 HydrophobicContact CD1-CG 3.89Å; L1103-L1135 HydrophobicContact CG-CD2 4.41Å
1104	G	58.3	Low	65.8	Low	37 Å²	37	73.5 Å²	73.5	38%	0.381	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-65.8	165.5	0	0	0	0	0	117.5	R1100 S1107	R1100-G1104 PolarHBondContact O-N 3.26Å; G1104-S1107 PolarHBondContact O-OG 2.8Å; G1104-S1107 VanDerWaalsContact O-OG 3.11Å
1105	F	60.9	Low	67	Low	22 Å²	22	69 Å²	69	10%	0.096	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-53.7	173.2	172.3	-113.6	0	0	0	112.2	P1048 V1073 L1103 S1107 N1108 R1111	P1048-F1105 HydrophobicContact CB-CB 3.67Å; P1048-F1105 HydrophobicContact CB-CD1 3.7Å; P1048-F1105 HydrophobicContact CB-CD2 3.32Å; P1048-F1105 HydrophobicContact CB-CE1 4.13Å; P1048-F1105 HydrophobicContact CB-CE2 3.79Å; P1048-F1105 HydrophobicContact CB-CG 3.27Å; P1048-F1105 HydrophobicContact CB-CZ 4.16Å; P1048-F1105 HydrophobicContact CG-CB 3.89Å; P1048-F1105 HydrophobicContact CG-CD1 3.46Å; P1048-F1105 VanDerWaalsContact CG-CD1 3.46Å; P1048-F1105 HydrophobicContact CG-CD2 4.08Å; P1048-F1105 HydrophobicContact CG-CE1 3.94Å; P1048-F1105 HydrophobicContact CG-CE2 4.49Å; P1048-F1105 HydrophobicContact CG-CG 3.54Å; P1048-F1105 HydrophobicContact CG-CZ 4.43Å; V1073-F1105 HydrophobicContact CG2-CE2 3.55Å; V1073-F1105 HydrophobicContact CG2-CZ 3.75Å; L1103-F1105 VanDerWaalsContact C-N 3.26Å; L1103-F1105 PolarHBondContact O-N 2.91Å; F1105-S1107 PolarHBondContact O-N 2.89Å; F1105-S1107 VanDerWaalsContact O-N 3.15Å; F1105-N1108 WeakPolarHBondContact O-CB 3.23Å; F1105-N1108 PolarHBondContact O-N 3.17Å; F1105-R1111 HydrophobicContact CD2-CB 4.32Å; F1105-R1111 HydrophobicContact CE2-CB 3.87Å; F1105-R1111 HydrophobicContact CE2-CG 4.43Å
1106	L	60.8	Low	69	Low	21 Å²	21	58 Å²	58	11%	0.11	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.5	-168	-62.4	165.9	0	0	0	113.4	T1088 L1103 L1132 L1135	T1088-L1106 HydrophobicContact CG2-CD2 3.87Å; L1103-L1106 HydrophobicContact CD2-CD1 4.02Å; L1103-L1106 PolarHBondContact O-N 2.89Å; L1106-L1132 HydrophobicContact CD1-CD2 3.8Å; L1106-L1132 HydrophobicContact CD2-CD2 3.85Å; L1106-L1132 HydrophobicContact CG-CD2 4.38Å; L1106-L1135 HydrophobicContact CB-CD1 3.57Å; L1106-L1135 HydrophobicContact CB-CD2 4.23Å; L1106-L1135 HydrophobicContact CD1-CD1 4.36Å; L1106-L1135 HydrophobicContact CG-CD1 4.5Å
1107	S	65.8	Low	70.9	Confident	58 Å²	58	53.9 Å²	53.9	41%	0.406	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.4	171.6	43.1	0	0	0	0	114	G1104 F1105	G1104-S1107 PolarHBondContact O-OG 2.8Å; G1104-S1107 VanDerWaalsContact O-OG 3.11Å; F1105-S1107 PolarHBondContact O-N 2.89Å; F1105-S1107 VanDerWaalsContact O-N 3.15Å
1108	N	78.8	Confident	73.2	Confident	56 Å²	56	43.8 Å²	43.8	30%	0.299	22%	0.215	S	C	.	.			trans	-91.8	106.2	-179.4	-173.1	-57.9	0	0	0	111.2	F1105 K1110 R1111 F1112	F1105-N1108 WeakPolarHBondContact O-CB 3.23Å; F1105-N1108 PolarHBondContact O-N 3.17Å; N1108-K1110 PolarHBondContact O-N 2.76Å; N1108-K1110 PolarHBondContact OD1-N 2.87Å; N1108-R1111 HydrophobicContact CB-CB 4.11Å; N1108-R1111 HydrophobicContact CB-CG 4.23Å; N1108-R1111 PolarHBondContact O-N 3.01Å; N1108-R1111 PolarHBondContact OD1-N 2.9Å; N1108-F1112 PolarHBondContact O-N 3.45Å; N1108-F1112 VanDerWaalsContact O-N 3.12Å
1109	S	84.8	Confident	75.3	Confident	64 Å²	64	41.7 Å²	41.7	45%	0.448	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-38.2	-176.4	59	0	0	0	0	113.6	F966 F1112 N1113	F966-S1109 VanDerWaalsContact CZ-O 3.31Å; F966-S1109 WeakPolarHBondContact CZ-O 3.34Å; S1109-F1112 WeakPolarHBondContact O-CB 3.22Å; S1109-F1112 PolarHBondContact O-N 3.02Å; S1109-N1113 WeakPolarHBondContact O-CB 3.4Å; S1109-N1113 PolarHBondContact O-N 3Å
1110	K	89	Confident	77.5	Confident	36 Å²	36	41.9 Å²	41.9	16%	0.157	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-44.4	177.8	-66.3	173.9	178.7	-120.1	0	112.4	P896 Q898 E919 N1108 F1112 N1113 V1114	P896-K1110 PolarHBondContact O-NZ 3.16Å; Q898-K1110 WeakPolarHBondContact O-CD 3.35Å; E919-K1110 VanDerWaalsContact OE1-CE 3.31Å; E919-K1110 WeakPolarHBondContact OE1-CE 3.46Å; E919-K1110 IonicContact OE1-NZ 3.24Å; E919-K1110 PolarHBondContact OE1-NZ 3.15Å; E919-K1110 IonicContact OE2-NZ 3.34Å; E919-K1110 PolarHBondContact OE2-NZ 2.86Å; N1108-K1110 PolarHBondContact O-N 2.76Å; N1108-K1110 PolarHBondContact OD1-N 2.87Å; K1110-F1112 VanDerWaalsContact C-N 3.33Å; K1110-F1112 PolarHBondContact O-N 2.75Å; K1110-N1113 WeakPolarHBondContact O-CB 3.4Å; K1110-N1113 PolarHBondContact O-N 2.88Å; K1110-V1114 WeakPolarHBondContact O-CG2 3.09Å; K1110-V1114 PolarHBondContact O-N 2.99Å
1111	R	87.6	Confident	79.6	Confident	80 Å²	80	34 Å²	34	30%	0.302	17%	0.172	S	C	.	.	H	α-helix	trans	-60.2	-43.6	173.5	-78.7	179.3	164	151.1	-3.1	111.6	L899 V1073 E1074 F1105 N1108 V1114 A1115	L899-R1111 HydrophobicContact CD1-CG 4.44Å; L899-R1111 HydrophobicContact CD2-CG 3.63Å; L899-R1111 HydrophobicContact CG-CG 4.15Å; V1073-R1111 HydrophobicContact CG1-CB 4.45Å; V1073-R1111 WeakPolarHBondContact CG1-O 3.48Å; E1074-R1111 IonicContact OE1-CZ 3.59Å; E1074-R1111 IonicContact OE1-NE 3.27Å; E1074-R1111 PolarHBondContact OE1-NE 3.15Å; E1074-R1111 IonicContact OE1-NH2 2.86Å; E1074-R1111 PolarHBondContact OE1-NH2 2.75Å; F1105-R1111 HydrophobicContact CD2-CB 4.32Å; F1105-R1111 HydrophobicContact CE2-CB 3.87Å; F1105-R1111 HydrophobicContact CE2-CG 4.43Å; N1108-R1111 HydrophobicContact CB-CB 4.11Å; N1108-R1111 HydrophobicContact CB-CG 4.23Å; N1108-R1111 PolarHBondContact O-N 3.01Å; N1108-R1111 PolarHBondContact OD1-N 2.9Å; R1111-V1114 PolarHBondContact O-N 2.74Å; R1111-A1115 WeakPolarHBondContact O-CB 3Å; R1111-A1115 PolarHBondContact O-N 2.87Å
1112	F	88.4	Confident	82	Confident	29 Å²	29	24.4 Å²	24.4	13%	0.127	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-47.6	175.6	179.7	-95.1	0	0	0	111.8	L961 L965 F966 N1108 S1109 K1110 A1115 I1116 I1162	L961-F1112 HydrophobicContact CD2-CZ 4.3Å; L965-F1112 HydrophobicContact CD1-CE1 3.87Å; F966-F1112 HydrophobicContact CE2-CD1 4.08Å; F966-F1112 HydrophobicContact CZ-CD1 4.05Å; N1108-F1112 PolarHBondContact O-N 3.45Å; N1108-F1112 VanDerWaalsContact O-N 3.12Å; S1109-F1112 WeakPolarHBondContact O-CB 3.22Å; S1109-F1112 PolarHBondContact O-N 3.02Å; K1110-F1112 VanDerWaalsContact C-N 3.33Å; K1110-F1112 PolarHBondContact O-N 2.75Å; F1112-A1115 PolarHBondContact O-N 3.32Å; F1112-I1116 HydrophobicContact CD1-CD1 4.11Å; F1112-I1116 HydrophobicContact CE1-CD1 3.55Å; F1112-I1116 HydrophobicContact CE1-CG2 4.4Å; F1112-I1116 HydrophobicContact CE2-CG2 4.17Å; F1112-I1116 HydrophobicContact CZ-CD1 4.07Å; F1112-I1116 HydrophobicContact CZ-CG2 4.1Å; F1112-I1116 WeakPolarHBondContact O-CG1 3.4Å; F1112-I1116 PolarHBondContact O-N 2.86Å; F1112-I1116 VanDerWaalsContact O-N 3.09Å; F1112-I1162 HydrophobicContact CE2-CD1 3.53Å; F1112-I1162 HydrophobicContact CE2-CG1 4.31Å; F1112-I1162 HydrophobicContact CZ-CD1 3.65Å; F1112-I1162 HydrophobicContact CZ-CG1 4.03Å
1113	N	92.4	Very high	84.3	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.4	-48.9	175.9	-173.3	15.8	0	0	0	112.4	M897 F966 Y967 S1109 K1110 A1115 T1117	M897-N1113 VanDerWaalsContact C-ND2 3.32Å; M897-N1113 WeakPolarHBondContact CB-ND2 3.47Å; M897-N1113 PolarHBondContact O-ND2 3.19Å; F966-N1113 HydrophobicContact CD1-CB 4.17Å; F966-N1113 HydrophobicContact CD2-CB 3.74Å; F966-N1113 VanDerWaalsContact CD2-CG 3.44Å; F966-N1113 WeakPolarHBondContact CD2-OD1 3.49Å; F966-N1113 HydrophobicContact CE1-CB 3.97Å; F966-N1113 HydrophobicContact CE2-CB 3.54Å; F966-N1113 HydrophobicContact CG-CB 4.07Å; F966-N1113 HydrophobicContact CZ-CB 3.67Å; Y967-N1113 PolarHBondContact OH-ND2 3.23Å; Y967-N1113 PolarHBondContact OH-OD1 2.64Å; Y967-N1113 VanDerWaalsContact OH-OD1 3.06Å; S1109-N1113 WeakPolarHBondContact O-CB 3.4Å; S1109-N1113 PolarHBondContact O-N 3Å; K1110-N1113 WeakPolarHBondContact O-CB 3.4Å; K1110-N1113 PolarHBondContact O-N 2.88Å; N1113-A1115 PolarHBondContact O-N 2.68Å; N1113-T1117 WeakPolarHBondContact O-CB 3.28Å; N1113-T1117 WeakPolarHBondContact O-CG2 3.47Å; N1113-T1117 PolarHBondContact O-N 3.07Å; N1113-T1117 PolarHBondContact O-OG1 3.38Å
1114	V	92.5	Very high	86.3	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.1	-50.1	176.7	174.5	0	0	0	0	110.4	Q898 L899 V1073 K1110 R1111 I1116 T1117 R1118	Q898-V1114 HydrophobicContact CB-CG2 3.75Å; Q898-V1114 HydrophobicContact CG-CG2 3.75Å; L899-V1114 HydrophobicContact CB-CG2 4.08Å; L899-V1114 HydrophobicContact CD1-CG2 4.48Å; L899-V1114 HydrophobicContact CG-CG2 4.13Å; V1073-V1114 HydrophobicContact CG1-CB 3.63Å; V1073-V1114 HydrophobicContact CG1-CG1 3.52Å; K1110-V1114 WeakPolarHBondContact O-CG2 3.09Å; K1110-V1114 PolarHBondContact O-N 2.99Å; R1111-V1114 PolarHBondContact O-N 2.74Å; V1114-I1116 PolarHBondContact O-N 2.81Å; V1114-T1117 PolarHBondContact O-N 2.89Å; V1114-T1117 PolarHBondContact O-OG1 2.81Å; V1114-R1118 WeakPolarHBondContact O-CG 3.23Å; V1114-R1118 PolarHBondContact O-N 2.88Å; V1114-R1118 PolarHBondContact O-NE 2.99Å
1115	A	92.6	Very high	88.1	Confident	2 Å²	2	21 Å²	21	2%	0.017	11%	0.11	C	C	.	.	H	α-helix	trans	-59.5	-49.2	-176	0	0	0	0	0	113.2	I1046 V1073 I1086 R1111 F1112 N1113 T1117 R1118	I1046-A1115 HydrophobicContact CD1-CB 4.22Å; I1046-A1115 HydrophobicContact CG2-CB 4.29Å; V1073-A1115 HydrophobicContact CG2-CB 4Å; I1086-A1115 HydrophobicContact CD1-CB 3.89Å; R1111-A1115 WeakPolarHBondContact O-CB 3Å; R1111-A1115 PolarHBondContact O-N 2.87Å; F1112-A1115 PolarHBondContact O-N 3.32Å; N1113-A1115 PolarHBondContact O-N 2.68Å; A1115-T1117 PolarHBondContact O-N 2.73Å; A1115-R1118 PolarHBondContact O-N 3.46Å
1116	I	93.4	Very high	89.7	Confident	5 Å²	5	20 Å²	20	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-75.1	-9.1	-178	72	175.8	0	0	0	114	L961 P962 I1086 F1112 V1114 P1119 L1123 I1162	L961-I1116 HydrophobicContact CD2-CD1 4.08Å; L961-I1116 HydrophobicContact CG-CD1 4.1Å; P962-I1116 HydrophobicContact CB-CD1 3.95Å; P962-I1116 HydrophobicContact CB-CG1 4.24Å; P962-I1116 HydrophobicContact CG-CD1 4.17Å; P962-I1116 HydrophobicContact CG-CG1 4.36Å; I1086-I1116 HydrophobicContact CD1-CG2 4.19Å; F1112-I1116 HydrophobicContact CD1-CD1 4.11Å; F1112-I1116 HydrophobicContact CE1-CD1 3.55Å; F1112-I1116 HydrophobicContact CE1-CG2 4.4Å; F1112-I1116 HydrophobicContact CE2-CG2 4.17Å; F1112-I1116 HydrophobicContact CZ-CD1 4.07Å; F1112-I1116 HydrophobicContact CZ-CG2 4.1Å; F1112-I1116 WeakPolarHBondContact O-CG1 3.4Å; F1112-I1116 PolarHBondContact O-N 2.86Å; F1112-I1116 VanDerWaalsContact O-N 3.09Å; V1114-I1116 PolarHBondContact O-N 2.81Å; I1116-P1119 WeakPolarHBondContact O-CD 3.49Å; I1116-L1123 HydrophobicContact CB-CD2 4.3Å; I1116-L1123 HydrophobicContact CG2-CD2 4.37Å; I1116-I1162 HydrophobicContact CG2-CD1 4.36Å
1117	T	94.3	Very high	91.1	Very high	5 Å²	5	19 Å²	19	3%	0.031	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	8.2	179.2	58.1	0	0	0	0	113.8	P752 R953 P962 N1113 V1114 A1115	P752-T1117 HydrophobicContact CB-CG2 4.49Å; P752-T1117 VanDerWaalsContact CG-CB 3.41Å; P752-T1117 HydrophobicContact CG-CG2 3.54Å; P752-T1117 WeakPolarHBondContact CG-OG1 3.36Å; R953-T1117 WeakPolarHBondContact CD-O 3.47Å; R953-T1117 PolarHBondContact NH1-O 2.77Å; P962-T1117 HydrophobicContact CB-CG2 3.68Å; P962-T1117 HydrophobicContact CG-CG2 3.8Å; N1113-T1117 WeakPolarHBondContact O-CB 3.28Å; N1113-T1117 WeakPolarHBondContact O-CG2 3.47Å; N1113-T1117 PolarHBondContact O-N 3.07Å; N1113-T1117 PolarHBondContact O-OG1 3.38Å; V1114-T1117 PolarHBondContact O-N 2.89Å; V1114-T1117 PolarHBondContact O-OG1 2.81Å; A1115-T1117 PolarHBondContact O-N 2.73Å
1118	R	94.7	Very high	92.2	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.011	8%	0.081	C	C	.	.	S	Bend	trans	-77.3	-32.9	169.9	-62	-43.8	86.6	178	14.8	115.9	I1046 F1076 Q1079 E1080 Y1081 I1084 V1114 A1115	I1046-R1118 HydrophobicContact CD1-CB 4.26Å; I1046-R1118 HydrophobicContact CD1-CG 3.82Å; F1076-R1118 HydrophobicContact CB-CG 4.22Å; F1076-R1118 WeakPolarHBondContact O-CD 3.38Å; Q1079-R1118 VanDerWaalsContact O-CD 3.3Å; Q1079-R1118 WeakPolarHBondContact O-CD 3.44Å; Q1079-R1118 PolarHBondContact O-NH1 3.43Å; E1080-R1118 WeakPolarHBondContact CA-O 3.48Å; Y1081-R1118 PolarHBondContact N-O 3.31Å; Y1081-R1118 VanDerWaalsContact N-O 3.14Å; I1084-R1118 HydrophobicContact CD1-CB 3.66Å; I1084-R1118 HydrophobicContact CG1-CB 3.65Å; V1114-R1118 WeakPolarHBondContact O-CG 3.23Å; V1114-R1118 PolarHBondContact O-N 2.88Å; V1114-R1118 PolarHBondContact O-NE 2.99Å; A1115-R1118 PolarHBondContact O-N 3.46Å
1119	P	96.4	Very high	92.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	149	-174	28.8	-31.6	0	0	0	113.4	S954 L958 Y1081 I1084 I1116 L1122 L1123	S954-P1119 PolarHBondContact OG-O 3.14Å; L958-P1119 HydrophobicContact CD1-CB 4.25Å; L958-P1119 HydrophobicContact CD1-CG 4.16Å; Y1081-P1119 CarbonylContact O-C 3.57Å; Y1081-P1119 WeakPolarHBondContact O-CA 3.49Å; I1084-P1119 HydrophobicContact CB-CB 3.9Å; I1084-P1119 HydrophobicContact CB-CG 4.24Å; I1084-P1119 HydrophobicContact CG1-CB 3.76Å; I1084-P1119 HydrophobicContact CG1-CG 4.28Å; I1116-P1119 WeakPolarHBondContact O-CD 3.49Å; P1119-L1122 VanDerWaalsContact CB-O 3.28Å; P1119-L1122 WeakPolarHBondContact CB-O 3.24Å; P1119-L1123 HydrophobicContact CG-CB 4.04Å; P1119-L1123 HydrophobicContact CG-CD1 4.26Å
1120	K	96.2	Very high	92.4	Very high	52 Å²	52	15.8 Å²	15.8	23%	0.226	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-55.7	170	-59.7	174.9	-178	-171.7	0	111.8	R953 H955 V979 E1080 Y1081 L1082	R953-K1120 HydrophobicContact CG-CG 4.02Å; R953-K1120 VanDerWaalsContact O-CA 3.31Å; R953-K1120 WeakPolarHBondContact O-CA 3.41Å; R953-K1120 WeakPolarHBondContact O-CB 3.46Å; R953-K1120 WeakPolarHBondContact O-CG 3.49Å; H955-K1120 PolarHBondContact N-O 3.25Å; H955-K1120 VanDerWaalsContact N-O 3.09Å; V979-K1120 HydrophobicContact CG1-CB 4.29Å; V979-K1120 HydrophobicContact CG1-CD 4.15Å; E1080-K1120 VanDerWaalsContact CD-CE 3.49Å; E1080-K1120 WeakPolarHBondContact OE1-CE 3.45Å; E1080-K1120 IonicContact OE1-NZ 3.85Å; E1080-K1120 PolarHBondContact OE1-NZ 3.29Å; Y1081-K1120 WeakPolarHBondContact O-CG 3.38Å; Y1081-K1120 PolarHBondContact O-N 3.36Å; L1082-K1120 HydrophobicContact CD1-CB 4.38Å
1121	A	95.2	Very high	91.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-17.2	-165.5	0	0	0	0	0	115.2	V979 L983 P995 L1082	V979-A1121 WeakPolarHBondContact O-CB 3.22Å; L983-A1121 HydrophobicContact CD1-CB 4.25Å; L983-A1121 HydrophobicContact CG-CB 4.43Å; P995-A1121 WeakPolarHBondContact CB-O 3.4Å; L1082-A1121 HydrophobicContact CD1-CB 3.58Å; L1082-A1121 HydrophobicContact CG-CB 4.03Å; L1082-A1121 PolarHBondContact O-N 2.84Å
1122	L	96.6	Very high	91.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	135	177.8	178.9	59.5	0	0	0	112.4	L983 W986 L989 P995 L1030 L1082 V1083 I1084 P1119 I1124	L983-L1122 HydrophobicContact CB-CB 4.47Å; L983-L1122 HydrophobicContact CD1-CB 3.73Å; L983-L1122 HydrophobicContact CD1-CD2 4.05Å; W986-L1122 HydrophobicContact CE3-CD2 3.84Å; W986-L1122 HydrophobicContact CZ3-CD2 3.78Å; L989-L1122 HydrophobicContact CD2-CD1 3.86Å; P995-L1122 WeakPolarHBondContact O-CD1 3.41Å; L1030-L1122 HydrophobicContact CD2-CD2 3.86Å; L1082-L1122 PolarHBondContact O-N 2.91Å; V1083-L1122 WeakPolarHBondContact CA-O 3.32Å; V1083-L1122 HydrophobicContact CB-CB 4.48Å; V1083-L1122 HydrophobicContact CG1-CB 4.04Å; V1083-L1122 HydrophobicContact CG1-CD2 3.91Å; V1083-L1122 HydrophobicContact CG1-CG 3.96Å; V1083-L1122 HydrophobicContact CG2-CB 4.17Å; V1083-L1122 HydrophobicContact CG2-CD2 4.33Å; I1084-L1122 PolarHBondContact N-O 3.35Å; P1119-L1122 VanDerWaalsContact CB-O 3.28Å; P1119-L1122 WeakPolarHBondContact CB-O 3.24Å; L1122-I1124 HydrophobicContact CD1-CG1 4.38Å; L1122-I1124 HydrophobicContact CD2-CD1 4.26Å; L1122-I1124 HydrophobicContact CD2-CG1 4.41Å; L1122-I1124 HydrophobicContact CG-CG1 4.17Å
1123	L	97.1	Very high	90.7	Very high	5 Å²	5	12 Å²	12	3%	0.026	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.9	170.2	179.4	56.9	0	0	0	110.7	L958 P995 L996 I997 I1084 I1086 I1116 P1119 V1125	L958-L1123 HydrophobicContact CD2-CB 3.53Å; L958-L1123 HydrophobicContact CD2-CD2 4.27Å; P995-L1123 PolarHBondContact O-N 2.79Å; L996-L1123 CarbonylContact C-O 3.57Å; L996-L1123 WeakPolarHBondContact CA-O 3.46Å; L996-L1123 HydrophobicContact CD1-CD2 4.18Å; I997-L1123 PolarHBondContact N-O 2.87Å; I1084-L1123 HydrophobicContact CB-CD1 4.15Å; I1084-L1123 HydrophobicContact CG2-CD1 3.94Å; I1084-L1123 WeakPolarHBondContact O-CA 3.46Å; I1086-L1123 HydrophobicContact CD1-CD1 3.9Å; I1086-L1123 HydrophobicContact CG1-CD1 4.06Å; I1116-L1123 HydrophobicContact CB-CD2 4.3Å; I1116-L1123 HydrophobicContact CG2-CD2 4.37Å; P1119-L1123 HydrophobicContact CG-CB 4.04Å; P1119-L1123 HydrophobicContact CG-CD1 4.26Å; L1123-V1125 HydrophobicContact CD1-CG2 4.02Å; L1123-V1125 HydrophobicContact CD2-CG2 4.23Å; L1123-V1125 HydrophobicContact CG-CG2 3.9Å
1124	I	97.2	Very high	89.2	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.2	171.9	-54.3	-178.7	0	0	0	108	W986 I997 Y1026 L1030 I1084 I1085 I1086 L1122 L1126	W986-I1124 HydrophobicContact CH2-CD1 4.31Å; W986-I1124 HydrophobicContact CZ3-CD1 4.27Å; I997-I1124 HydrophobicContact CB-CG1 4.31Å; I997-I1124 HydrophobicContact CB-CG2 4.34Å; I997-I1124 HydrophobicContact CD1-CD1 4.43Å; I997-I1124 HydrophobicContact CD1-CG1 4.35Å; I997-I1124 CarbonylContact O-C 3.55Å; I997-I1124 WeakPolarHBondContact O-CA 3.43Å; Y1026-I1124 HydrophobicContact CD1-CD1 3.75Å; Y1026-I1124 HydrophobicContact CD2-CG2 3.79Å; Y1026-I1124 HydrophobicContact CE1-CD1 4.24Å; Y1026-I1124 HydrophobicContact CE2-CG2 3.78Å; Y1026-I1124 HydrophobicContact CG-CD1 3.91Å; Y1026-I1124 HydrophobicContact CG-CG2 4.23Å; L1030-I1124 HydrophobicContact CD1-CD1 4.38Å; I1084-I1124 PolarHBondContact O-N 3.26Å; I1085-I1124 CarbonylContact C-O 3.51Å; I1085-I1124 VanDerWaalsContact CA-O 3.31Å; I1085-I1124 WeakPolarHBondContact CA-O 3.4Å; I1085-I1124 HydrophobicContact CG1-CB 4.25Å; I1085-I1124 HydrophobicContact CG1-CD1 4.4Å; I1085-I1124 HydrophobicContact CG2-CB 4.29Å; I1085-I1124 HydrophobicContact CG2-CG2 4.3Å; I1086-I1124 PolarHBondContact N-O 2.99Å; L1122-I1124 HydrophobicContact CD1-CG1 4.38Å; L1122-I1124 HydrophobicContact CD2-CD1 4.26Å; L1122-I1124 HydrophobicContact CD2-CG1 4.41Å; L1122-I1124 HydrophobicContact CG-CG1 4.17Å; I1124-L1126 HydrophobicContact CG2-CD2 3.76Å
1125	V	95.3	Very high	87.4	Confident	4 Å²	4	16.6 Å²	16.6	2%	0.024	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.9	-179.8	-176.3	0	0	0	0	109.6	I997 F998 H999 I1086 L1123 I1162	I997-V1125 PolarHBondContact O-N 3.23Å; F998-V1125 HydrophobicContact CD2-CB 4.08Å; F998-V1125 HydrophobicContact CD2-CG1 4.02Å; F998-V1125 HydrophobicContact CE2-CG1 4.28Å; H999-V1125 PolarHBondContact N-O 3.44Å; I1086-V1125 HydrophobicContact CB-CG1 4.38Å; I1086-V1125 HydrophobicContact CB-CG2 4.34Å; I1086-V1125 HydrophobicContact CD1-CG2 4.27Å; L1123-V1125 HydrophobicContact CD1-CG2 4.02Å; L1123-V1125 HydrophobicContact CD2-CG2 4.23Å; L1123-V1125 HydrophobicContact CG-CG2 3.9Å; V1125-I1162 HydrophobicContact CB-CG2 4.36Å; V1125-I1162 HydrophobicContact CG1-CD1 4.48Å; V1125-I1162 HydrophobicContact CG1-CG2 4.35Å; V1125-I1162 HydrophobicContact CG2-CD1 4.37Å; V1125-I1162 HydrophobicContact CG2-CG2 4.48Å
1126	L	94.7	Very high	84.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.9	-178.1	-42.8	-177.3	0	0	0	109.9	H999 E1019 Q1022 V1023 Y1026 I1085 I1086 T1088 I1124	H999-L1126 HydrophobicContact CB-CD2 3.63Å; E1019-L1126 HydrophobicContact CG-CB 4.27Å; Q1022-L1126 HydrophobicContact CB-CD1 4.11Å; Q1022-L1126 HydrophobicContact CG-CD1 4.18Å; Q1022-L1126 HydrophobicContact CG-CD2 4.13Å; V1023-L1126 HydrophobicContact CB-CD1 4.28Å; V1023-L1126 HydrophobicContact CG2-CD1 3.42Å; V1023-L1126 VanDerWaalsContact CG2-CD1 3.42Å; Y1026-L1126 HydrophobicContact CD2-CD2 3.85Å; Y1026-L1126 HydrophobicContact CE2-CD2 3.64Å; I1085-L1126 HydrophobicContact CG2-CD1 4.17Å; I1085-L1126 HydrophobicContact CG2-CG 4.28Å; I1086-L1126 PolarHBondContact O-N 3.3Å; T1088-L1126 WeakPolarHBondContact CG2-O 3.07Å; T1088-L1126 PolarHBondContact N-O 3.39Å; T1088-L1126 PolarHBondContact OG1-O 2.97Å; I1124-L1126 HydrophobicContact CG2-CD2 3.76Å
1127	G	91.2	Very high	82.2	Confident	0 Å²	0	33 Å²	33	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.1	170	178.1	0	0	0	0	0	114.5	H999 G1000 V1001 T1088 P1129	H999-G1127 PolarHBondContact O-N 2.81Å; G1000-G1127 CarbonylContact C-O 3.6Å; G1000-G1127 WeakPolarHBondContact CA-O 3.43Å; V1001-G1127 PolarHBondContact N-O 2.88Å; V1001-G1127 CarbonylContact O-C 3.54Å; V1001-G1127 VanDerWaalsContact O-C 3.28Å; T1088-G1127 WeakPolarHBondContact OG1-CA 3.47Å; G1127-P1129 VanDerWaalsContact O-CD 3.25Å; G1127-P1129 WeakPolarHBondContact O-CD 3.27Å
1128	N	88.1	Confident	79.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.			trans	-81.2	111.7	178.7	-172.8	-18.1	0	0	0	111.1	V1001 S1091 E1093 H1130 V1131 L1132	V1001-N1128 WeakPolarHBondContact O-CA 3.24Å; V1001-N1128 PolarHBondContact O-N 3.15Å; S1091-N1128 PolarHBondContact O-ND2 3.21Å; S1091-N1128 VanDerWaalsContact O-ND2 3.13Å; E1093-N1128 PolarHBondContact OE1-ND2 2.96Å; N1128-H1130 PolarHBondContact O-N 3.18Å; N1128-H1130 WeakPolarHBondContact OD1-CB 3.49Å; N1128-H1130 PolarHBondContact OD1-CD2 2.94Å; N1128-H1130 PolarHBondContact OD1-N 2.79Å; N1128-V1131 HydrophobicContact CB-CB 4.2Å; N1128-V1131 HydrophobicContact CB-CG2 3.89Å; N1128-V1131 PolarHBondContact O-N 2.91Å; N1128-V1131 VanDerWaalsContact O-N 3.14Å; N1128-L1132 WeakPolarHBondContact O-CG 3.47Å; N1128-L1132 PolarHBondContact O-N 3Å
1129	P	85.4	Confident	76.2	Confident	29 Å²	29	38.4 Å²	38.4	19%	0.188	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-29.3	-179.6	23.7	-32	0	0	0	113.1	F998 G1127 V1131 L1132 V1133	F998-P1129 HydrophobicContact CE1-CB 3.86Å; F998-P1129 HydrophobicContact CE1-CG 4.21Å; F998-P1129 HydrophobicContact CZ-CB 3.98Å; F998-P1129 HydrophobicContact CZ-CG 4.45Å; G1127-P1129 VanDerWaalsContact O-CD 3.25Å; G1127-P1129 WeakPolarHBondContact O-CD 3.27Å; P1129-V1131 PolarHBondContact O-N 3Å; P1129-L1132 PolarHBondContact O-N 3.47Å; P1129-V1133 WeakPolarHBondContact O-CB 3.17Å; P1129-V1133 VanDerWaalsContact O-CG2 3.32Å; P1129-V1133 WeakPolarHBondContact O-CG2 3.5Å; P1129-V1133 PolarHBondContact O-N 3.33Å
1130	H	81.2	Confident	73	Confident	81 Å²	81	41.5 Å²	41.5	38%	0.375	23%	0.232	S	C	.	.	H	α-helix	trans	-75.1	-16.7	-178.6	-54.6	-75.8	0	0	0	113.1	R1002 E1093 N1128 R1134	R1002-H1130 VanDerWaalsContact CZ-NE2 3.34Å; R1002-H1130 PolarHBondContact NE-CD2 2.98Å; R1002-H1130 VanDerWaalsContact NE-CD2 3.32Å; R1002-H1130 PolarHBondContact NE-NE2 3.25Å; R1002-H1130 PolarHBondContact NH2-CD2 3.34Å; R1002-H1130 VanDerWaalsContact NH2-CD2 3.31Å; R1002-H1130 PolarHBondContact NH2-NE2 2.98Å; E1093-H1130 HydrophobicContact CG-CB 4.13Å; N1128-H1130 PolarHBondContact O-N 3.18Å; N1128-H1130 WeakPolarHBondContact OD1-CB 3.49Å; N1128-H1130 PolarHBondContact OD1-CD2 2.94Å; N1128-H1130 PolarHBondContact OD1-N 2.79Å; H1130-R1134 WeakPolarHBondContact O-CG 3.33Å; H1130-R1134 PolarHBondContact O-NE 2.9Å
1131	V	78.9	Confident	69.5	Low	4 Å²	4	46.6 Å²	46.6	2%	0.024	25%	0.25	C	S	.	.	H	α-helix	trans	-88.9	-49	168.6	-180	0	0	0	0	109.3	N1092 E1093 L1103 N1128 P1129 V1133 R1134	N1092-V1131 WeakPolarHBondContact O-CG2 3.18Å; E1093-V1131 HydrophobicContact CG-CG2 4.02Å; L1103-V1131 HydrophobicContact CD2-CG1 3.5Å; L1103-V1131 VanDerWaalsContact CD2-CG1 3.5Å; N1128-V1131 HydrophobicContact CB-CB 4.2Å; N1128-V1131 HydrophobicContact CB-CG2 3.89Å; N1128-V1131 PolarHBondContact O-N 2.91Å; N1128-V1131 VanDerWaalsContact O-N 3.14Å; P1129-V1131 PolarHBondContact O-N 3Å; V1131-V1133 VanDerWaalsContact C-N 3.34Å; V1131-V1133 PolarHBondContact O-N 3.07Å; V1131-R1134 WeakPolarHBondContact O-CB 3.31Å; V1131-R1134 PolarHBondContact O-N 3.11Å; V1131-R1134 VanDerWaalsContact O-N 3.09Å
1132	L	78.7	Confident	66.4	Low	8 Å²	8	51.6 Å²	51.6	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-36.4	-177.5	-73.5	166	0	0	0	113.8	F998 T1088 L1106 N1128 P1129 R1134 L1135 A1159	F998-L1132 HydrophobicContact CE2-CD1 3.71Å; F998-L1132 HydrophobicContact CZ-CD1 3.88Å; T1088-L1132 HydrophobicContact CG2-CD2 4.34Å; L1106-L1132 HydrophobicContact CD1-CD2 3.8Å; L1106-L1132 HydrophobicContact CD2-CD2 3.85Å; L1106-L1132 HydrophobicContact CG-CD2 4.38Å; N1128-L1132 WeakPolarHBondContact O-CG 3.47Å; N1128-L1132 PolarHBondContact O-N 3Å; P1129-L1132 PolarHBondContact O-N 3.47Å; L1132-R1134 VanDerWaalsContact C-N 3.32Å; L1132-R1134 PolarHBondContact O-N 2.68Å; L1132-L1135 HydrophobicContact CD2-CD1 4.33Å; L1132-A1159 HydrophobicContact CB-CB 4.07Å; L1132-A1159 HydrophobicContact CD2-CB 3.87Å; L1132-A1159 WeakPolarHBondContact O-CB 3.34Å
1133	V	72	Confident	62.9	Low	53 Å²	53	60 Å²	60	32%	0.321	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.6	178.3	171.3	0	0	0	0	113.2	P1129 V1131 L1135 C1163	P1129-V1133 WeakPolarHBondContact O-CB 3.17Å; P1129-V1133 VanDerWaalsContact O-CG2 3.32Å; P1129-V1133 WeakPolarHBondContact O-CG2 3.5Å; P1129-V1133 PolarHBondContact O-N 3.33Å; V1131-V1133 VanDerWaalsContact C-N 3.34Å; V1131-V1133 PolarHBondContact O-N 3.07Å; V1133-L1135 VanDerWaalsContact C-N 3.33Å; V1133-L1135 PolarHBondContact O-N 2.94Å; V1133-C1163 HydrophobicContact CG2-CB 4Å
1134	R	62.4	Low	59.5	Low	76 Å²	76	66.1 Å²	66.1	29%	0.287	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-68.4	-32.6	-179.1	-64.3	179.2	-169.2	-161.2	-0.2	113.1	E1093 D1094 H1130 V1131 L1132 W1136 R1137	E1093-R1134 PolarHBondContact O-NH1 3.4Å; E1093-R1134 PolarHBondContact O-NH2 3.1Å; D1094-R1134 PolarHBondContact O-NH1 2.87Å; H1130-R1134 WeakPolarHBondContact O-CG 3.33Å; H1130-R1134 PolarHBondContact O-NE 2.9Å; V1131-R1134 WeakPolarHBondContact O-CB 3.31Å; V1131-R1134 PolarHBondContact O-N 3.11Å; V1131-R1134 VanDerWaalsContact O-N 3.09Å; L1132-R1134 VanDerWaalsContact C-N 3.32Å; L1132-R1134 PolarHBondContact O-N 2.68Å; R1134-W1136 PolarHBondContact O-N 2.84Å; R1134-R1137 PolarHBondContact O-N 3.26Å
1135	L	53.6	Low	56.1	Low	21 Å²	21	71.7 Å²	71.7	11%	0.11	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-51.5	-15.6	178.1	-73.9	158.7	0	0	0	114.6	L1103 L1106 L1132 V1133 S1157 A1159	L1103-L1135 HydrophobicContact CB-CD2 4.16Å; L1103-L1135 HydrophobicContact CD1-CD2 3.58Å; L1103-L1135 HydrophobicContact CD1-CG 3.89Å; L1103-L1135 HydrophobicContact CG-CD2 4.41Å; L1106-L1135 HydrophobicContact CB-CD1 3.57Å; L1106-L1135 HydrophobicContact CB-CD2 4.23Å; L1106-L1135 HydrophobicContact CD1-CD1 4.36Å; L1106-L1135 HydrophobicContact CG-CD1 4.5Å; L1132-L1135 HydrophobicContact CD2-CD1 4.33Å; V1133-L1135 VanDerWaalsContact C-N 3.33Å; V1133-L1135 PolarHBondContact O-N 2.94Å; L1135-S1157 VanDerWaalsContact C-OG 3.22Å; L1135-S1157 PolarHBondContact O-OG 3.32Å; L1135-A1159 HydrophobicContact CB-CB 4.35Å; L1135-A1159 HydrophobicContact CD1-CB 3.51Å
1136	W	41.5	Very low	52.9	Low	126 Å²	126	77.9 Å²	77.9	48%	0.477	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-94.5	-30.6	179	-153.9	79.4	0	0	0	114	R1134 S1157 Q1160	R1134-W1136 PolarHBondContact O-N 2.84Å; W1136-S1157 WeakPolarHBondContact CA-OG 3.03Å; W1136-Q1160 HydrophobicContact CB-CB 4.27Å; W1136-Q1160 VanDerWaalsContact CB-OE1 3.22Å; W1136-Q1160 HydrophobicContact CG-CB 4.42Å; W1136-Q1160 VanDerWaalsContact CG-OE1 3.26Å
1137	R	36.2	Very low	49.7	Very low	225 Å²	225	81.4 Å²	81.4	85%	0.849	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-30.9	-174.6	-69.2	-167.9	-179.7	-159.7	0.5	113.9	R1134	R1134-R1137 PolarHBondContact O-N 3.26Å
1138	G	32.2	Very low	46.7	Very low	57 Å²	57	85.6 Å²	85.6	59%	0.588	51%	0.51	S	S	*	.	S	Bend	trans	-81.6	-17.1	-178.6	0	0	0	0	0	115.5	G1140	G1138-G1140 PolarHBondContact O-N 3.39Å; G1138-G1140 VanDerWaalsContact O-N 3.13Å
1139	G	30.5	Very low	43.5	Very low	65 Å²	65	92.8 Å²	92.8	67%	0.67	54%	0.537	S	S	*	.			trans	-70.4	-9.5	-170.7	0	0	0	0	0	116.1	R1141	G1139-R1141 PolarHBondContact O-N 2.97Å
1140	G	28.6	Very low	40.6	Very low	65 Å²	65	98.2 Å²	98.2	67%	0.67	56%	0.563	S	S	*	*	S	Bend	trans	-90.6	55.6	-169.4	0	0	0	0	0	116.1	G1138	G1138-G1140 PolarHBondContact O-N 3.39Å; G1138-G1140 VanDerWaalsContact O-N 3.13Å
1141	R	23.8	Very low	37.8	Very low	159 Å²	159	103.8 Å²	103.8	60%	0.6	59%	0.589	S	S	*	*			trans	176.1	98.5	156.3	-100.4	165.8	-146.8	-62.9	-9.6	111.5	E235 A236 G1139 L1143	E235-R1141 IonicContact OE2-CZ 2.76Å; E235-R1141 IonicContact OE2-NH1 2.68Å; E235-R1141 PolarHBondContact OE2-NH1 2.79Å; E235-R1141 IonicContact OE2-NH2 3.95Å; E235-R1141 PolarHBondContact OE2-NH2 3.31Å; A236-R1141 PolarHBondContact O-NH2 3.11Å; G1139-R1141 PolarHBondContact O-N 2.97Å; R1141-L1143 PolarHBondContact O-N 2.82Å
1142	P	29.4	Very low	35.3	Very low	106 Å²	106	113.9 Å²	113.9	69%	0.688	63%	0.626	S	S	*	*			trans	-71.3	118.7	159.7	-11	27.4	0	0	0	109	L1144	P1142-L1144 PolarHBondContact O-N 2.96Å
1143	L	23.9	Very low	32.8	Very low	177 Å²	177	119.4 Å²	119.4	93%	0.927	66%	0.661	S	S	*	*			trans	-74	79.2	166.2	-74.9	172.4	0	0	0	109.5	R1141	R1141-L1143 PolarHBondContact O-N 2.82Å
1144	L	25.6	Very low	30.7	Very low	133 Å²	133	128 Å²	128	70%	0.696	69%	0.687	S	S	*	*			trans	-89.9	147.7	158.6	-78.9	167.8	0	0	0	109	P1142	P1142-L1144 PolarHBondContact O-N 2.96Å
1145	P	25.9	Very low	29.2	Very low	116 Å²	116	132.3 Å²	132.3	75%	0.753	71%	0.711	S	S	*	*			trans	-54.9	145.4	176.5	-25.8	35.1	0	0	0	112.3	G1147	P1145-G1147 PolarHBondContact O-N 3.49Å
1146	S	26.7	Very low	28.4	Very low	134 Å²	134	133 Å²	133	94%	0.937	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	103.8	-175.3	51.3	0	0	0	0	112.3
1147	G	28.4	Very low	28.3	Very low	75 Å²	75	128.6 Å²	128.6	77%	0.773	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177	-44.3	175.1	0	0	0	0	0	114.9	P1145 R1149	P1145-G1147 PolarHBondContact O-N 3.49Å; G1147-R1149 PolarHBondContact O-N 2.81Å
1148	A	27.5	Very low	28.5	Very low	88 Å²	88	118.3 Å²	118.3	73%	0.727	67%	0.671	S	S	*	*			trans	-92.5	86.5	-171	0	0	0	0	0	113.9
1149	R	21.3	Very low	28.9	Very low	150 Å²	150	115.9 Å²	115.9	57%	0.566	65%	0.646	S	S	*	*			trans	-88.9	103.7	163	-81.3	-165.8	176.1	117	-11.9	110.9	V233 H234 G1147	V233-R1149 VanDerWaalsContact C-CZ 3.42Å; V233-R1149 VanDerWaalsContact C-NH1 3.3Å; V233-R1149 PolarHBondContact O-NH1 3.27Å; V233-R1149 PolarHBondContact O-NH2 3.42Å; H234-R1149 PolarHBondContact O-NH2 3.38Å; G1147-R1149 PolarHBondContact O-N 2.81Å
1150	I	24.6	Very low	29	Very low	144 Å²	144	116.1 Å²	116.1	74%	0.738	63%	0.63	S	S	*	*			trans	-127.7	139.2	165.2	-65.3	175	0	0	0	107.4	R1152	I1150-R1152 PolarHBondContact O-N 3.06Å
1151	H	23	Very low	29.6	Very low	198 Å²	198	115 Å²	115	92%	0.917	61%	0.608	S	S	*	*			trans	-57.5	108.5	176.8	-77.1	-94.4	0	0	0	110.5
1152	R	26.6	Very low	30.5	Very low	215 Å²	215	108 Å²	108	81%	0.811	58%	0.582	S	S	*	*			trans	-104.6	126.4	165	-70.6	-166.5	177.4	-158.3	-0.4	109.7	I1150	I1150-R1152 PolarHBondContact O-N 3.06Å
1153	T	25.7	Very low	30.9	Very low	125 Å²	125	105 Å²	105	77%	0.767	56%	0.563	S	S	*	*			trans	-63	158.2	172	37.7	0	0	0	0	110.7	E1155	T1153-E1155 VanDerWaalsContact C-N 3.34Å; T1153-E1155 PolarHBondContact O-N 2.95Å
1154	R	26.4	Very low	31.4	Very low	233 Å²	233	100.4 Å²	100.4	88%	0.879	55%	0.547	S	S	*	.			trans	-71	86.1	177.3	-74.1	177.9	169.8	169.8	-4.4	110.6	A1156	R1154-A1156 PolarHBondContact O-N 2.83Å
1155	E	31.9	Very low	31.7	Very low	167 Å²	167	97.9 Å²	97.9	78%	0.78	55%	0.553	S	S	*	*			trans	-61.4	102.9	166.4	-70.8	-179.1	-176.4	0	0	109.4	T1153	T1153-E1155 VanDerWaalsContact C-N 3.34Å; T1153-E1155 PolarHBondContact O-N 2.95Å
1156	A	35.8	Very low	31.9	Very low	36 Å²	36	97 Å²	97	30%	0.298	54%	0.543	S	S	.	.			trans	-84.2	124	-177.1	0	0	0	0	0	110.9	L965 R1154 G1158	L965-A1156 HydrophobicContact CD2-CB 3.94Å; R1154-A1156 PolarHBondContact O-N 2.83Å; A1156-G1158 PolarHBondContact O-N 3.49Å
1157	S	39.8	Very low	32.2	Very low	33 Å²	33	95.1 Å²	95.1	23%	0.231	52%	0.522	C	S	.	.			trans	-63.7	127.7	170.2	52.9	0	0	0	0	110.2	L1135 W1136 A1159	L1135-S1157 VanDerWaalsContact C-OG 3.22Å; L1135-S1157 PolarHBondContact O-OG 3.32Å; W1136-S1157 WeakPolarHBondContact CA-OG 3.03Å; S1157-A1159 PolarHBondContact O-N 3.43Å; S1157-A1159 VanDerWaalsContact O-N 3.13Å
1158	G	41.4	Very low	32.4	Very low	8 Å²	8	96.2 Å²	96.2	8%	0.082	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.8	-164	0	0	0	0	0	116.1	A1156 Q1160 L1161 I1162	A1156-G1158 PolarHBondContact O-N 3.49Å; G1158-Q1160 PolarHBondContact O-N 3.2Å; G1158-L1161 PolarHBondContact O-N 2.91Å; G1158-L1161 VanDerWaalsContact O-N 3.15Å; G1158-I1162 PolarHBondContact O-N 3.43Å
1159	A	39.8	Very low	32.7	Very low	7 Å²	7	96.6 Å²	96.6	6%	0.058	50%	0.495	C	S	.	.	H	α-helix	trans	-64.9	-38.8	-172.2	0	0	0	0	0	114.1	L1132 L1135 S1157 L1161 C1163	L1132-A1159 HydrophobicContact CB-CB 4.07Å; L1132-A1159 HydrophobicContact CD2-CB 3.87Å; L1132-A1159 WeakPolarHBondContact O-CB 3.34Å; L1135-A1159 HydrophobicContact CB-CB 4.35Å; L1135-A1159 HydrophobicContact CD1-CB 3.51Å; S1157-A1159 PolarHBondContact O-N 3.43Å; S1157-A1159 VanDerWaalsContact O-N 3.13Å; A1159-L1161 VanDerWaalsContact C-N 3.27Å; A1159-L1161 PolarHBondContact O-N 3.16Å; A1159-C1163 PolarHBondContact O-N 3.03Å; A1159-C1163 PolarHBondContact O-SG 3.38Å; A1159-C1163 VanDerWaalsContact O-SG 3.38Å
1160	Q	32.7	Very low	33.4	Very low	70 Å²	70	93.3 Å²	93.3	33%	0.327	49%	0.491	S	S	.	.	H	α-helix	trans	-67.7	-29.1	175.7	-177.5	172.8	-20.3	0	0	111.9	W1136 G1158 C1163 S1164	W1136-Q1160 HydrophobicContact CB-CB 4.27Å; W1136-Q1160 VanDerWaalsContact CB-OE1 3.22Å; W1136-Q1160 HydrophobicContact CG-CB 4.42Å; W1136-Q1160 VanDerWaalsContact CG-OE1 3.26Å; G1158-Q1160 PolarHBondContact O-N 3.2Å; Q1160-C1163 CarbonylContact O-C 3.53Å; Q1160-C1163 PolarHBondContact O-N 2.94Å; Q1160-S1164 PolarHBondContact O-N 2.98Å
1161	L	41.2	Very low	34	Very low	41 Å²	41	89.9 Å²	89.9	22%	0.215	47%	0.474	C	S	.	.	H	α-helix	trans	-76.9	-30.1	-177.7	-71.5	174.6	0	0	0	113.4	L961 L965 G1158 A1159 C1163 S1164 G1165	L961-L1161 HydrophobicContact CD1-CB 3.6Å; L961-L1161 HydrophobicContact CD1-CD1 3.7Å; L961-L1161 HydrophobicContact CD1-CG 4.29Å; L965-L1161 HydrophobicContact CD1-CD1 4.19Å; L965-L1161 HydrophobicContact CD2-CD1 3.77Å; L965-L1161 HydrophobicContact CG-CD1 4.11Å; G1158-L1161 PolarHBondContact O-N 2.91Å; G1158-L1161 VanDerWaalsContact O-N 3.15Å; A1159-L1161 VanDerWaalsContact C-N 3.27Å; A1159-L1161 PolarHBondContact O-N 3.16Å; L1161-C1163 VanDerWaalsContact C-N 3.3Å; L1161-S1164 WeakPolarHBondContact CA-OG 3.36Å; L1161-S1164 PolarHBondContact O-N 2.98Å; L1161-S1164 PolarHBondContact O-OG 3.45Å; L1161-G1165 PolarHBondContact O-N 3.32Å
1162	I	42.8	Very low	34.8	Very low	11 Å²	11	82.2 Å²	82.2	6%	0.056	44%	0.442	C	S	.	.	H	α-helix	trans	-67.2	-34.9	168.1	-61.6	-175.7	0	0	0	110.4	L961 F998 F1112 I1116 V1125 G1158 S1164	L961-I1162 HydrophobicContact CD2-CG1 3.81Å; F998-I1162 HydrophobicContact CB-CG2 4.03Å; F998-I1162 HydrophobicContact CD2-CG2 3.52Å; F998-I1162 HydrophobicContact CE2-CG2 4.36Å; F998-I1162 HydrophobicContact CG-CG2 4.02Å; F1112-I1162 HydrophobicContact CE2-CD1 3.53Å; F1112-I1162 HydrophobicContact CE2-CG1 4.31Å; F1112-I1162 HydrophobicContact CZ-CD1 3.65Å; F1112-I1162 HydrophobicContact CZ-CG1 4.03Å; I1116-I1162 HydrophobicContact CG2-CD1 4.36Å; V1125-I1162 HydrophobicContact CB-CG2 4.36Å; V1125-I1162 HydrophobicContact CG1-CD1 4.48Å; V1125-I1162 HydrophobicContact CG1-CG2 4.35Å; V1125-I1162 HydrophobicContact CG2-CD1 4.37Å; V1125-I1162 HydrophobicContact CG2-CG2 4.48Å; G1158-I1162 PolarHBondContact O-N 3.43Å; I1162-S1164 PolarHBondContact O-N 2.75Å
1163	C	37.7	Very low	35.4	Very low	43 Å²	43	72 Å²	72	29%	0.291	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.9	174.5	-59	0	0	0	0	114	V1133 A1159 Q1160 L1161	V1133-C1163 HydrophobicContact CG2-CB 4Å; A1159-C1163 PolarHBondContact O-N 3.03Å; A1159-C1163 PolarHBondContact O-SG 3.38Å; A1159-C1163 VanDerWaalsContact O-SG 3.38Å; Q1160-C1163 CarbonylContact O-C 3.53Å; Q1160-C1163 PolarHBondContact O-N 2.94Å; L1161-C1163 VanDerWaalsContact C-N 3.3Å
1164	S	34.8	Very low	36.3	Very low	82 Å²	82	67.6 Å²	67.6	57%	0.573	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-1.5	-179.6	73.1	0	0	0	0	114.7	Q1160 L1161 I1162	Q1160-S1164 PolarHBondContact O-N 2.98Å; L1161-S1164 WeakPolarHBondContact CA-OG 3.36Å; L1161-S1164 PolarHBondContact O-N 2.98Å; L1161-S1164 PolarHBondContact O-OG 3.45Å; I1162-S1164 PolarHBondContact O-N 2.75Å
1165	G	31	Very low	37.2	Very low	80 Å²	80	52.5 Å²	52.5	83%	0.825	34%	0.34	S	S	*	.			trans	-107.7	0	176.8	0	0	0	0	0	111.6	L1161	L1161-G1165 PolarHBondContact O-N 3.32Å

Retrieved 1,165 of 1,165 residues in 341.6 ms (Link to these results)

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